Details of the Drug

General Information of Drug (ID: DMST6IF)

Drug Name
US9422240, 1-297
Synonyms SCHEMBL16761684; CHEMBL3900473; BDBM242555; US9422240, 1-297
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 411.4
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C21H21N3O6
IUPAC Name
2-[[4-hydroxy-1-[[4-(5-methylpyridin-2-yl)oxyphenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
Canonical SMILES
CC1=CN=C(C=C1)OC2=CC=C(C=C2)CN3CCC(=C(C3=O)C(=O)NCC(=O)O)O
InChI
InChI=1S/C21H21N3O6/c1-13-2-7-17(22-10-13)30-15-5-3-14(4-6-15)12-24-9-8-16(25)19(21(24)29)20(28)23-11-18(26)27/h2-7,10,25H,8-9,11-12H2,1H3,(H,23,28)(H,26,27)
InChIKey
FHMUUXWOUSOEJQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73050968
ChEBI ID
CHEMBL3900473
TTD ID
D0K5UR
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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 Partially saturated nitrogen-containing heterocyclic compound. US9422240.