Details of the Drug

General Information of Drug (ID: DMEU5ST)

Drug Name
US8598210, Table XV, 5
Synonyms US8722895, 5: [(3-Hydroxy-4'-methyl-biphenyl-4- carbonyl)-amino]-acetic acid; SCHEMBL1921403; CHEMBL3646216; BDBM107699; US8598210, Table XV, 5
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 285.29
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H15NO4
IUPAC Name
2-[[2-hydroxy-4-(4-methylphenyl)benzoyl]amino]acetic acid
Canonical SMILES
CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)NCC(=O)O)O
InChI
InChI=1S/C16H15NO4/c1-10-2-4-11(5-3-10)12-6-7-13(14(18)8-12)16(21)17-9-15(19)20/h2-8,18H,9H2,1H3,(H,17,21)(H,19,20)
InChIKey
POKDHYRFSOQLCV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24891042
ChEBI ID
CHEMBL3646216
TTD ID
D00XHH
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HIF-prolyl hydroxylase 2 (HPH-2) TT9ISBX EGLN1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Prolyl hydroxylase inhibitors and method of use. US8722895.