General Information of Drug (ID: DMV4AHL)

Drug Name
US9422240, 1-282
Synonyms SCHEMBL16762172; CHEMBL3896281; BDBM242546; US9422240, 1-282
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 414.4
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C21H19FN2O6
IUPAC Name
2-[[1-[[4-(2-fluorophenoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
Canonical SMILES
C1CN(C(=O)C(=C1O)C(=O)NCC(=O)O)CC2=CC=C(C=C2)OC3=CC=CC=C3F
InChI
InChI=1S/C21H19FN2O6/c22-15-3-1-2-4-17(15)30-14-7-5-13(6-8-14)12-24-10-9-16(25)19(21(24)29)20(28)23-11-18(26)27/h1-8,25H,9-12H2,(H,23,28)(H,26,27)
InChIKey
FFAFLVNMXIWUFY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73053164
TTD ID
D05EHX

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 Partially saturated nitrogen-containing heterocyclic compound. US9422240.