Details of the Drug

General Information of Drug (ID: DM4HS92)

Drug Name
1-Methyl-5-(4-phenylazo-phenyl)-piperidin-2-one
Synonyms CHEMBL56908; 1-Methyl-5-(4-phenylazo-phenyl)-piperidin-2-one; BDBM50091710; 1-Methyl-5-[(E)-azobenzene-4-yl]piperidine-2-one
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 293.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H19N3O
IUPAC Name
1-methyl-5-(4-phenyldiazenylphenyl)piperidin-2-one
Canonical SMILES
CN1CC(CCC1=O)C2=CC=C(C=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C18H19N3O/c1-21-13-15(9-12-18(21)22)14-7-10-17(11-8-14)20-19-16-5-3-2-4-6-16/h2-8,10-11,15H,9,12-13H2,1H3
InChIKey
GUDNFCRTZUCEOP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10017278
TTD ID
D09KZA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Steroid 5-alpha-reductase 1 (SRD5A1) TTTU72V S5A1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Simple bi- and tricyclic inhibitors of human steroid 5alpha-reductase. Bioorg Med Chem Lett. 2000 Sep 4;10(17):1909-11.