Details of the Drug

General Information of Drug (ID: DM3XWMO)

Drug Name
US8598210, Table XV, 4
Synonyms US8722895, 4: [(3-Hydroxy-5-(4-methylphenyl)pyridine-2- carbonyl)amino]-acetic acid; SCHEMBL1923034; CHEMBL3646215; BDBM107698; US8598210, Table XV, 4
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 286.28
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H14N2O4
IUPAC Name
2-[[3-hydroxy-5-(4-methylphenyl)pyridine-2-carbonyl]amino]acetic acid
Canonical SMILES
CC1=CC=C(C=C1)C2=CC(=C(N=C2)C(=O)NCC(=O)O)O
InChI
InChI=1S/C15H14N2O4/c1-9-2-4-10(5-3-9)11-6-12(18)14(16-7-11)15(21)17-8-13(19)20/h2-7,18H,8H2,1H3,(H,17,21)(H,19,20)
InChIKey
VBNCAZJDNCXKIO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24891734
ChEBI ID
CHEMBL3646215
TTD ID
D01XZT
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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 methods of use. US8598210.