Details of the Drug

General Information of Drug (ID: DMDY38R)

• Drug Name: Org-33201
• Synonyms: 148714-92-5

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 377
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 5
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 2
• Chemical Identifiers:
  Formula: C21H29ClN2S
  IUPAC Name: 1-[[(2S,3aR)-3a-ethyl-9-ethylsulfanyl-1,2,3,4,5,6-hexahydrophenalen-2-yl]methyl]imidazole;hydrochloride
  Canonical SMILES: CC[C@]12CCCC3=C1C(=C(C=C3)SCC)C[C@H](C2)CN4C=CN=C4.Cl
  InChI: InChI=1S/C21H28N2S.ClH/c1-3-21-9-5-6-17-7-8-19(24-4-2)18(20(17)21)12-16(13-21)14-23-11-10-22-15-23;/h7-8,10-11,15-16H,3-6,9,12-14H2,1-2H3;1H/t16-,21-;/m1./s1
  InChIKey: CQCWQGXXUFLLAL-KTWHHOSASA-N
• Cross-matching ID:
  PubChem CID: 196932
  CAS Number: 148714-92-5
  TTD ID: D0Y1EX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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

References

• [1] Org 33201: a new highly selective orally active aromatase inhibitor. J Steroid Biochem Mol Biol. 1993 Mar;44(4-6):681-2.
• [2] Effective aromatase inhibition by anastrozole in a patient with gonadotropin-independent precocious puberty in McCune-Albright syndrome. J Pediatr Endocrinol Metab. 2002;15 Suppl 3:945-8.
• [3] Aromatase inhibitors--theoretical concept and present experiences in the treatment of endometriosis. Zentralbl Gynakol. 2003 Jul-Aug;125(7-8):247-51.
• [4] Aminoglutethimide-induced protein free radical formation on myeloperoxidase: a potential mechanism of agranulocytosis. Chem Res Toxicol. 2007 Jul;20(7):1038-45.
• [5] Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach. J Med Chem. 2005 Nov 17;48(23):7282-9.
• [6] Aromatase inhibitors for male infertility. J Urol. 2002 Feb;167(2 Pt 1):624-9.
• [7] Toremifene-atamestane; alone or in combination: predictions from the preclinical intratumoral aromatase model. J Steroid Biochem Mol Biol. 2008 Jan;108(1-2):1-7.
• [8] Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64.
• [9] Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template. J Med Chem. 2010 Mar 11;53(5):2155-70.
• [10] Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.