IMPPAT Phytochemical information: 
Uridine-5'-diphosphate

Uridine-5'-diphosphate
Summary

SMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
InChI: InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey: XCCTYIAWTASOJW-XVFCMESISA-N
DeepSMILES: O[C@@H][C@@H]COP=O)OP=O)O)O)))O))))O[C@H][C@@H]5O))nccc=O)[nH]c6=O
Scaffold Graph/Node/Bond level: O=c1ccn(C2CCCO2)c(=O)[nH]1
Scaffold Graph/Node level: OC1CCN(C2CCCO2)C(O)N1
Scaffold Graph level: CC1CCC(C2CCCC2)C(C)C1
Functional groups: CO; COC; COP(=O)(O)OP(=O)(O)O; c=O; c[nH]c; cn(c)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Nucleosides, nucleotides, and analogues
ClassyFire Class: Pyrimidine nucleotides
ClassyFire Subclass: Pyrimidine ribonucleotides
NP Classifier Biosynthetic pathway: Carbohydrates
NP Classifier Superclass: Nucleosides
Synonymous chemical names:
uridine diphosphate
External chemical identifiers:
CID:6031; ChEMBL:CHEMBL130266; ChEBI:17659; ZINC:ZINC000004490939; FDASRS:5G0F599A1Y; SureChEMBL:SCHEMBL4245
Chemical structure download


Uridine-5'-diphosphate
Physicochemical properties
Property name Tool Property value
Molecular weight (g/mol) RDKit 0
Log P RDKit 0
Topological polar surface area (Å2) RDKit
Number of hydrogen bond acceptors RDKit
Number of hydrogen bond donors RDKit
Number of carbon atoms RDKit
Number of heavy atoms RDKit
Number of heteroatoms RDKit
Number of nitrogen atoms RDKit
Number of sulfur atoms RDKit
Number of chiral carbon atoms RDKit
Stereochemical complexity RDKit 0
Number of sp hybridized carbon atoms RDKit
Number of sp2 hybridized carbon atoms RDKit
Number of sp3 hybridized carbon atoms RDKit
Shape complexity RDKit
Number of rotatable bonds RDKit
Number of aliphatic carbocycles RDKit
Number of aliphatic heterocycles RDKit
Number of aliphatic rings RDKit
Number of aromatic carbocycles RDKit
Number of aromatic heterocycles RDKit
Number of aromatic rings RDKit
Total number of rings RDKit
Number of saturated carbocycles RDKit
Number of saturated heterocycles RDKit
Number of saturated rings RDKit
Number of Smallest Set of Smallest Rings (SSSR) RDKit


Uridine-5'-diphosphate
Drug-likeness properties
Property nameToolProperty value
Number of Lipinski’s rule of 5 violations RDKit 1
Lipinski’s rule of 5 filter RDKit Passed
Number of Ghose filter violations RDKit 1
Ghose filter RDKit Failed
Veber filter RDKit Bad
Pfizer 3/75 filter RDKit Good
GSK 4/400 filter RDKit Bad
Weighted quantitative estimate of drug-likeness (QEDw) score RDKit 0.2686


Uridine-5'-diphosphate
ADMET properties
Property nameToolProperty value
Bioavailability score SwissADME 0.11
Solubility class [ESOL] SwissADME Highly soluble
Solubility class [Silicos-IT] SwissADME Soluble
Blood Brain Barrier permeation SwissADME No
Gastrointestinal absorption SwissADME Low
Log Kp (Skin permeation, cm/s) SwissADME -12.12
Number of PAINS structural alerts SwissADME 0.0
Number of Brenk structural alerts SwissADME 1.0
CYP1A2 inhibitor SwissADME No
CYP2C19 inhibitor SwissADME No
CYP2C9 inhibitor SwissADME No
CYP2D6 inhibitor SwissADME No
CYP3A4 inhibitor SwissADME No
P-glycoprotein substrate SwissADME No


Uridine-5'-diphosphate
Predicted human target proteins
Protein identifierHGNC symbolCombined score from STITCH database
ENSP00000013034NME1954
ENSP00000017003XYLT2959
ENSP00000026218PIGQ908
ENSP00000029410B4GALT7980
ENSP00000035307CHPF2900
ENSP00000052754DCN900
ENSP00000054668UTS2900
ENSP00000078429GNA11900
ENSP00000171757P2RY10909
ENSP00000215832MAPK1700
ENSP00000216452PIGH900
ENSP00000216629BDKRB1917
ENSP00000217270PROKR2917
ENSP00000217386OXT900
ENSP00000218721MLNR917
ENSP00000219302NME3954
ENSP00000219479NME4954
ENSP00000220562EXTL3900
ENSP00000222115HAS1965
ENSP00000222725LFNG969
ENSP00000223122C1GALT1900
ENSP00000223127PLOD3900
ENSP00000225538P2RX1824
ENSP00000225609PIGL918
ENSP00000226413GNRHR917
ENSP00000227495ST3GAL4900
ENSP00000227756GALNT18900
ENSP00000230053B3GAT2921
ENSP00000234371KISS1R917
ENSP00000235382RGS2900
ENSP00000236709A4GNT910
ENSP00000237858GLRX900
ENSP00000239891ALG5972
ENSP00000240874KALRN900
ENSP00000241256GHSR917
ENSP00000243776CHPF900
ENSP00000243913GCNT7959
ENSP00000245983GNRH2900
ENSP00000246549FFAR2900
ENSP00000246553FFAR1900
ENSP00000247138SLC35A2706
ENSP00000248076F2RL3900
ENSP00000249005A4GALT908
ENSP00000249016MCHR1917
ENSP00000251566UGT2A3962
ENSP00000251810RRM2B900
ENSP00000252318GALNT8900
ENSP00000252575NCAN900
ENSP00000252599COLGALT1900
ENSP00000253270SLC35D2914
ENSP00000254190CHSY1929
ENSP00000254351SDC1900
ENSP00000255262NMUR2917
ENSP00000255380CHRM3900
ENSP00000256010NTS900
ENSP00000256722CMPK2900
ENSP00000256857GRP900
ENSP00000257497ANXA1900
ENSP00000258042NMBR917
ENSP00000258324PIGC900
ENSP00000258400HTR2B917
ENSP00000258711CHST12900
ENSP00000259056GALNT5900
ENSP00000260402PLCB2900
ENSP00000261195GYS2969
ENSP00000261381XYLT1959
ENSP00000261797NDST1907
ENSP00000262374ALG1955
ENSP00000262551OGN900
ENSP00000262915ST3GAL3900
ENSP00000262958GNA15900
ENSP00000263025MAPK3700
ENSP00000263314P2RX3800
ENSP00000263388NOTCH3900
ENSP00000263967PIK3CA900
ENSP00000264039GPC1900
ENSP00000264218NMU900
ENSP00000264968MGAT4A900
ENSP00000265000GALNT7900
ENSP00000265012GCNT2959
ENSP00000265023KNG1900
ENSP00000265077VCAN900
ENSP00000265191NME5954
ENSP00000265403UGT2B10984
ENSP00000265471B3GAT3979
ENSP00000266383B4GALNT3900
ENSP00000266718LUM900
ENSP00000266719KERA900
ENSP00000267017NPFF900
ENSP00000267549GPR65917
ENSP00000269195GALNT1900
ENSP00000269848PFKL800
ENSP00000271331PROK1900
ENSP00000272644GPR17920
ENSP00000273430AGTR1917
ENSP00000274278UGT3A1953
ENSP00000274335PIK3R1900
ENSP00000276055CHST7900
ENSP00000276198HTR2C917
ENSP00000276414GNRH1900
ENSP00000277541NOTCH1900
ENSP00000277942NPFFR1917
ENSP00000279230PLCB3900
ENSP00000281806MCHR2917
ENSP00000281923MGAT5909
ENSP00000282018CYSLTR2931
ENSP00000282507UGT3A2953
ENSP00000282753GRM1900
ENSP00000284981APP900
ENSP00000286548GNAQ900
ENSP00000286648DCK800
ENSP00000287590B3GNT7900
ENSP00000288988GALNT14900
ENSP00000292377GPC2900
ENSP00000292513PTGER1917
ENSP00000293330HCRT900
ENSP00000295571EOGT800
ENSP00000295588POGLUT1900
ENSP00000295589CCKAR917
ENSP00000295619PROK2900
ENSP00000296641F2RL2900
ENSP00000296677F2RL1900
ENSP00000297107GALNT10979
ENSP00000299178AVPR1A917
ENSP00000300108TAC3900
ENSP00000300738RRM1974
ENSP00000301046LALBA980
ENSP00000301825ENTPD3909
ENSP00000301974PTAFR900
ENSP00000302021MUC7900
ENSP00000302629CHSY3929
ENSP00000302716MUC17900
ENSP00000303174UGT1A6981
ENSP00000303325TACR3900
ENSP00000303452TRH900
ENSP00000303522TACR1900
ENSP00000303686NTSR2917
ENSP00000303775PROKR1917
ENSP00000304364C1GALT1C1900
ENSP00000304440HAS3963
ENSP00000304767P2RY1964
ENSP00000304802DTYMK900
ENSP00000304811UGT2B7985
ENSP00000304845UGT1A1989
ENSP00000305221UGT2B4986
ENSP00000305595B3GNT2900
ENSP00000305725CHST11900
ENSP00000305877NMUR1917
ENSP00000306138GRM5900
ENSP00000306459B4GALT6900
ENSP00000306490CHRM1900
ENSP00000306662ADRA1B917
ENSP00000306991HAS2963
ENSP00000307046SDC2900
ENSP00000307423MGAT2914
ENSP00000307445LTB4R917
ENSP00000307674CANT1900
ENSP00000307713BDKRB2900
ENSP00000307822NPFFR2917
ENSP00000307875B3GAT1979
ENSP00000307971RFNG705
ENSP00000308361P2RY14899
ENSP00000309096B3GNT1900
ENSP00000309493GPRC6A900
ENSP00000309771P2RY6985
ENSP00000309818TRHR917
ENSP00000310305P2RY2920
ENSP00000310405XCR1900
ENSP00000310657NDST2907
ENSP00000310696B4GALT2900
ENSP00000310891CSGALNACT1900
ENSP00000311364MUCL1900
ENSP00000311449RAB6A900
ENSP00000311648UGT8987
ENSP00000311888MGAT1900
ENSP00000312235MUC13900
ENSP00000312262ADRBK1900
ENSP00000312506CSPG4900
ENSP00000312700B3GNT8900
ENSP00000315011EDNRA917
ENSP00000315835GALNT11900
ENSP00000316173B3GNT5900
ENSP00000317027GCNT4972
ENSP00000317404CHST13900
ENSP00000317904GYS1969
ENSP00000318445ST3GAL1900
ENSP00000319636B3GNT4900
ENSP00000319744GPR4900
ENSP00000319979B3GNTL1723
ENSP00000320171PKM800
ENSP00000320376P2RY13838
ENSP00000320401UGT2B17977
ENSP00000320965B4GALT3900
ENSP00000321106TAC1900
ENSP00000321326F2R900
ENSP00000321874B3GNT3900
ENSP00000322181DPM2900
ENSP00000323479B3GALNT1900
ENSP00000323516UTS2R917
ENSP00000324270OXTR917
ENSP00000324834MUC3A900
ENSP00000327336BGN900
ENSP00000327801P4HB900
ENSP00000327875LPAR5900
ENSP00000328230FFAR3900
ENSP00000328277B4GALNT4900
ENSP00000328818GPR132900
ENSP00000329654WBSCR17900
ENSP00000331210BCAN900
ENSP00000331358GAST900
ENSP00000331664MGAT4C917
ENSP00000332225PMCH900
ENSP00000333194RGS19900
ENSP00000334105PLCB4900
ENSP00000334276UGT2B28984
ENSP00000334448GNG2900
ENSP00000335246ENTPD5908
ENSP00000335544CCKBR917
ENSP00000335560900
ENSP00000335657CCK900
ENSP00000336607P2RX4821
ENSP00000336729GALNT16900
ENSP00000337053SEL1L907
ENSP00000337128EDN3900
ENSP00000338185PLCB1900
ENSP00000338487MGAT4B900
ENSP00000338703UGP2931
ENSP00000339299TRIO900
ENSP00000339933PKLR800
ENSP00000340191FPR2900
ENSP00000340526UTS2B900
ENSP00000340736GYG1979
ENSP00000341045UGT2B15987
ENSP00000341562B4GALNT1900
ENSP00000343339P2RX2818
ENSP00000343838UGT1A10971
ENSP00000343924PRELP900
ENSP00000343943PPOX743
ENSP00000344125POMGNT2800
ENSP00000344193RNASE1741
ENSP00000344260GALNT15900
ENSP00000344353LPAR6908
ENSP00000344468SDC3900
ENSP00000345270MGAT3900
ENSP00000345477ST3GAL2900
ENSP00000345487QRFP900
ENSP00000345771PFKM800
ENSP00000346142DPAGT1910
ENSP00000346155UCKL1800
ENSP00000346768UGT1A9974
ENSP00000347041FMOD900
ENSP00000348668GALNT6900
ENSP00000348918SAA1900
ENSP00000349490MFNG795
ENSP00000349595ATP2A1900
ENSP00000351520ENTPD4900
ENSP00000351755LPAR1917
ENSP00000352144B4GALT4900
ENSP00000352839NPSR1917
ENSP00000353072ATP2A3900
ENSP00000353770RRM2900
ENSP00000354569917
ENSP00000354960COLGALT2900
ENSP00000355627AGT900
ENSP00000355632GALNT2979
ENSP00000355689GUK1908
ENSP00000356162KISS1900
ENSP00000356430RGS18900
ENSP00000356785NME7954
ENSP00000356792XCL1900
ENSP00000356793XCL2900
ENSP00000356853UCK2800
ENSP00000357380MUC1900
ENSP00000359131EXTL2980
ENSP00000359224ALG14900
ENSP00000359532NTSR1917
ENSP00000359643LPAR3923
ENSP00000359793PTGFR917
ENSP00000359864GPC4900
ENSP00000359899HCRTR2917
ENSP00000360250ENTPD1916
ENSP00000360561ENTPD8900
ENSP00000360776B4GALT5900
ENSP00000360829GLT6D1794
ENSP00000360939CMPK1964
ENSP00000361110GBGT1825
ENSP00000361141OPN4917
ENSP00000361668EDN2900
ENSP00000361699CTPS1907
ENSP00000361818SDC4900
ENSP00000362207CHST3900
ENSP00000362249AK1964
ENSP00000362398908
ENSP00000362401CYSLTR1941
ENSP00000362403TACR2900
ENSP00000362508UGT1A4969
ENSP00000362513UGT1A5973
ENSP00000362525UGT1A7945
ENSP00000362549UGT1A8971
ENSP00000362810HCRTR1917
ENSP00000362824OGT981
ENSP00000363397UGCG963
ENSP00000363398EXTL1900
ENSP00000363590CSGALNACT2900
ENSP00000363621GALE781
ENSP00000363641TXN900
ENSP00000363643P2RY4836
ENSP00000363827HSPG2900
ENSP00000364150GALNT12900
ENSP00000364163NOTCH4900
ENSP00000364700OMD900
ENSP00000364902POFUT1900
ENSP00000365473MUC21900
ENSP00000365807GNA14900
ENSP00000365840ENTPD6907
ENSP00000365920GCNT1981
ENSP00000366061NMS900
ENSP00000366246GPC6900
ENSP00000366267GPC5900
ENSP00000366416EDNRB917
ENSP00000367446EXT1900
ENSP00000367869900
ENSP00000367959HTR2A917
ENSP00000368119GALT738
ENSP00000368496B3GALT6910
ENSP00000368678AGRN900
ENSP00000368683EDN1900
ENSP00000368766ADRA1D917
ENSP00000369055B4GALT1981
ENSP00000369643GRPR917
ENSP00000369647AVP900
ENSP00000369820PIGA955
ENSP00000369960ADRA1A917
ENSP00000370517PFKP800
ENSP00000370555GYG2900
ENSP00000370697P2RY8800
ENSP00000371230AK3954
ENSP00000372750CHRM5900
ENSP00000373244CSPG5900
ENSP00000376465GALNT3912
ENSP00000376548GALNTL5800
ENSP00000376570GALNT13900
ENSP00000376609GRK5900
ENSP00000376886NME1-NME2954
ENSP00000376889NME2954
ENSP00000377717ST3GAL6900
ENSP00000377836GPC3900
ENSP00000377948QRFPR917
ENSP00000378089NMB900
ENSP00000378260ALG13900
ENSP00000379032EXT2900
ENSP00000379377GCNT3975
ENSP00000379839GNE972
ENSP00000380247HRH1900
ENSP00000380488GALNT9900
ENSP00000381008MUC16900
ENSP00000381105NPS900
ENSP00000381666GXYLT1900
ENSP00000383558GCGR900
ENSP00000384442CDK11A900
ENSP00000384665LPAR2917
ENSP00000387019UXS1861
ENSP00000387356ACAN900
ENSP00000387662GCG900
ENSP00000387683UGT2B11953
ENSP00000387888UGT2A2988
ENSP00000388825MLN900
ENSP00000390784B3GALT4800
ENSP00000391227MGAT5B900
ENSP00000393333TBXA2R917
ENSP00000393953PNPT1907
ENSP00000395253MUC19900
ENSP00000396774MUC20900
ENSP00000406861MUC6900
ENSP00000410833GBE1900
ENSP00000415183MUC2900
ENSP00000415890GPR35800
ENSP00000416193P2RX6817
ENSP00000416658NME6954
ENSP00000416753MUC15900
ENSP00000417498MUC4900
ENSP00000417764ALG2752
ENSP00000418532UGT1A3973
ENSP00000420037PIGP900
ENSP00000420194CASR900
ENSP00000423313GALNTL6900
ENSP00000433290LTB4R2917
ENSP00000434045GPR68900
ENSP00000434516TXNRD1900
ENSP00000435352B3GNT6900
ENSP00000435591MUC5AC900
ENSP00000436604GALNT4900
ENSP00000436812MUC5B900
ENSP00000440045ATP2A2900
ENSP00000441929MUC12900
ENSP00000442349P2RX7820
ENSP00000447852POC1B-GALNT4800
ENSP00000451792726
ENSP00000455681P2RX5-TAX1BP3800
ENSP00000464036CDK11B900
ENSP00000468991MTRNR2L12900
The human target proteins were predicted using STITCH, a database of Chemical-Protein interaction networks.