Details of the Drug

General Information of Drug (ID: DMRTL63)

Drug Name
US8536181, C17
Synonyms SCHEMBL272935; CHEMBL3649592; BDBM102336; US8536181, C17
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 326.4
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H26N2O2
IUPAC Name
1-benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one
Canonical SMILES
CC1CCC(CC1)NCC2=C(C(=O)N(C=C2)CC3=CC=CC=C3)O
InChI
InChI=1S/C20H26N2O2/c1-15-7-9-18(10-8-15)21-13-17-11-12-22(20(24)19(17)23)14-16-5-3-2-4-6-16/h2-6,11-12,15,18,21,23H,7-10,13-14H2,1H3
InChIKey
VJHCNYYTYSQTGD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10042063
ChEBI ID
CHEMBL3649592
TTD ID
D01PPR
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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 Methods for increasing the stabilization of hypoxia inducible factor-1 alpha. US8778412.