Details of the Drug

General Information of Drug (ID: DMX7KDR)

Drug Name
US8921389, 2
Synonyms SCHEMBL12502926; CHEMBL3671865; WGLKJEAEYYHYAM-UHFFFAOYSA-N; BDBM141546; US8921389, 2; [(1-Benzyl-5-hydroxy-3-methyl-2-oxo-1,2-dihydro-[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) 367.4
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H17N3O5
IUPAC Name
2-[(1-benzyl-5-hydroxy-3-methyl-2-oxo-1,7-naphthyridine-6-carbonyl)amino]acetic acid
Canonical SMILES
CC1=CC2=C(C(=NC=C2N(C1=O)CC3=CC=CC=C3)C(=O)NCC(=O)O)O
InChI
InChI=1S/C19H17N3O5/c1-11-7-13-14(22(19(11)27)10-12-5-3-2-4-6-12)8-20-16(17(13)25)18(26)21-9-15(23)24/h2-8,25H,9-10H2,1H3,(H,21,26)(H,23,24)
InChIKey
WGLKJEAEYYHYAM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60152763
ChEBI ID
CHEMBL3671865
TTD ID
D04YMG
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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.