Details of the Drug

General Information of Drug (ID: DMTOFS7)

• Drug Name: NSC-93358
• Synonyms: CHEMBL583076; NSC-93358; NCIOpen2_006063; AC1L655A; CTK7H3397; BDBM50298490; 3a,5b,10-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluorene-3,8-dione; 3a,5b,10-trimethyl-1,2,3a,4,5,5a,5b,6,7,10,10a,10b-dodecahydrocyclopenta[a]fluorene-3,8-dione

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); 286.4
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C19H26O2
  IUPAC Name: 3a,5b,10-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluorene-3,8-dione
  Canonical SMILES: CC1C2C3CCC(=O)C3(CCC2C4(C1=CC(=O)CC4)C)C
  InChI: InChI=1S/C19H26O2/c1-11-15-10-12(20)6-8-18(15,2)14-7-9-19(3)13(17(11)14)4-5-16(19)21/h10-11,13-14,17H,4-9H2,1-3H3
  InChIKey: GYXFOOCGIVDNFH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 261365
  TTD ID: D09MYQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[1]

References

• [1] An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors. Eur J Med Chem. 2009 Oct;44(10):4121-7.