Details of the Drug

General Information of Drug (ID: DM34KXF)

Drug Name
US8921389, 1
Synonyms
CHEMBL3671864; SCHEMBL12503126; RKTAODJRDMTRFE-UHFFFAOYSA-N; BDBM141545; US8921389, 1; [(1-Benzyl-5-hydroxy-2-oxo-1,2,3,4-tetrahydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid; [(1-Benzyl-5-hydroxy-2-oxo-1,2,3,4-tetrahydro-[1,7]naphthyridine-6-carbonyl)-amino]acetic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 355.3
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H17N3O5
IUPAC Name
2-[(1-benzyl-5-hydroxy-2-oxo-3,4-dihydro-1,7-naphthyridine-6-carbonyl)amino]acetic acid
Canonical SMILES
C1CC(=O)N(C2=CN=C(C(=C21)O)C(=O)NCC(=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C18H17N3O5/c22-14-7-6-12-13(21(14)10-11-4-2-1-3-5-11)8-19-16(17(12)25)18(26)20-9-15(23)24/h1-5,8,25H,6-7,9-10H2,(H,20,26)(H,23,24)
InChIKey
RKTAODJRDMTRFE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60152762
ChEBI ID
CHEMBL3671864
TTD ID
D0YY5J
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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 Naphthyridine derivatives as inhibitors of Hypoxia inducible factor (HIF) hydroxylase. US9695170.