Details of the Drug

General Information of Drug (ID: DMAM51Z)

Drug Name
US8536181, C35
Synonyms SCHEMBL5240905; CHEMBL3649593; BDBM102337; US8536181, C35
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 338.4
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H22N4O2
IUPAC Name
1-benzyl-3-hydroxy-4-[(3-imidazol-1-ylpropylamino)methyl]pyridin-2-one
Canonical SMILES
C1=CC=C(C=C1)CN2C=CC(=C(C2=O)O)CNCCCN3C=CN=C3
InChI
InChI=1S/C19H22N4O2/c24-18-17(13-20-8-4-10-22-12-9-21-15-22)7-11-23(19(18)25)14-16-5-2-1-3-6-16/h1-3,5-7,9,11-12,15,20,24H,4,8,10,13-14H2
InChIKey
VKLSJRDNBKOSAR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10449798
ChEBI ID
CHEMBL3649593
TTD ID
D03PGC
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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. US8536181.