Details of the Drug

General Information of Drug (ID: DMX5H3T)

• Drug Name: LY-266111
• Synonyms: CHEMBL29166; LY-266111; SCHEMBL7796296; KTBSRSVHEOTHLD-UKRRQHHQSA-N; BDBM50044879; (4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one; 8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one; (R)(+)-trans-4-methyl-8-chloro-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 263.76
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C15H18ClNO
  IUPAC Name: (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
  Canonical SMILES: C[C@]12CCC(=O)N([C@@H]1CCC3=C2C=CC(=C3)Cl)C
  InChI: InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1
  InChIKey: KTBSRSVHEOTHLD-UKRRQHHQSA-N
• Cross-matching ID:
  PubChem CID: 10106832
  TTD ID: D0M7OP

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]

References

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