IMPPAT Phytochemical information: 
Uric acid
Uric acid
Summary

SMILES: O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O
InChI: InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChIKey: LEHOTFFKMJEONL-UHFFFAOYSA-N
DeepSMILES: O=c[nH]cc[nH]5)[nH]c=O)[nH]c6=O
Scaffold Graph/Node/Bond level: O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1
Scaffold Graph/Node level: OC1NC(O)C2NC(O)NC2N1
Scaffold Graph level: CC1CC(C)C2CC(C)CC2C1
Functional groups: c=O; c[nH]c
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compounds
ClassyFire Class: Imidazopyrimidines
ClassyFire Subclass: Purines and purine derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Pseudoalkaloids
NP Classifier Class: Purine alkaloids
Synonymous chemical names:
uric acid
External chemical identifiers:
CID:1175; ChEMBL:CHEMBL792; ChEBI:62589; ZINC:ZINC000002041003; FDASRS:268B43MJ25; SureChEMBL:SCHEMBL7933; MolPort-046-938-075
Chemical structure download
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
Uric acid
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
Uric acid
Drug-likeness properties
Property nameToolProperty value
Number of Lipinski’s rule of 5 violations RDKit 0
Lipinski’s rule of 5 filter RDKit Passed
Number of Ghose filter violations RDKit 2
Ghose filter RDKit Failed
Veber filter RDKit Good
Pfizer 3/75 filter RDKit Good
GSK 4/400 filter RDKit Good
Weighted quantitative estimate of drug-likeness (QEDw) score RDKit 0.3729
Uric acid
ADMET properties
Property nameToolProperty value
Bioavailability score SwissADME 0.55
Solubility class [ESOL] SwissADME Very soluble
Solubility class [Silicos-IT] SwissADME Soluble
Blood Brain Barrier permeation SwissADME No
Gastrointestinal absorption SwissADME High
Log Kp (Skin permeation, cm/s) SwissADME -8.68
Number of PAINS structural alerts SwissADME 0.0
Number of Brenk structural alerts SwissADME 0.0
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
Uric acid
Predicted human target proteins
Protein identifierHGNC symbolCombined score from STITCH database
ENSP00000216392PYGL962
ENSP00000225831CCL2958
ENSP00000238018GDA915
ENSP00000241052CAT970
ENSP00000260598KHK817
ENSP00000263341IL1B960
ENSP00000264784SLC2A9985
ENSP00000264832ICAM1831
ENSP00000269980BCKDHA734
ENSP00000293272CCL5803
ENSP00000293404NAGS800
ENSP00000297494NOS3940
ENSP00000299855MMP3800
ENSP00000306512IL8853
ENSP00000311733CMKLR1800
ENSP00000322788MMP1800
ENSP00000327251NOS2770
ENSP00000332049CD86822
ENSP00000337383NLRP3935
ENSP00000337459NOS1700
ENSP00000359539GOT1743
ENSP00000361512PRPS1783
ENSP00000363832AOX1944
ENSP00000366797SLC22A12979
ENSP00000367102SLC22A6733
ENSP00000368727XDH996
ENSP00000380250SLC17A3945
ENSP00000380252NFE2L2800
ENSP00000398698TNF847
ENSP00000424595PRPS1L1743
The human target proteins were predicted using STITCH, a database of Chemical-Protein interaction networks.