Details of the Drug

General Information of Drug (ID: DMDK98P)

Drug Name
US8598210, Table XV, 2
Synonyms US8722895, 2: {[5-(4-Chloro-phenyl)-3-hydroxy-pyridine- 2-carbonyl]-amino}-acetic acid methyl ester; SCHEMBL1921358; CHEMBL3646213; BDBM107696; US8598210, Table XV, 2
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 320.73
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H13ClN2O4
IUPAC Name
methyl 2-[[5-(4-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
Canonical SMILES
COC(=O)CNC(=O)C1=C(C=C(C=N1)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C15H13ClN2O4/c1-22-13(20)8-18-15(21)14-12(19)6-10(7-17-14)9-2-4-11(16)5-3-9/h2-7,19H,8H2,1H3,(H,18,21)
InChIKey
BYGKIXAXITXFDW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24891583
ChEBI ID
CHEMBL3646213
TTD ID
D00ECX
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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. US9598370.