Details of the Drug

General Information of Drug (ID: DMLIJYS)

• Drug Name: 1-(9-Phenyl-9H-fluoren-9-yl)1H-imidazole
• Synonyms: CHEMBL223874; 1H-Imidazole, 1-(9-phenyl-9H-fluoren-9-yl)-; 27608-12-4; Fluorenyl deriv. 14; BDBM9465; CTK0J2505; DTXSID90432952

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); 308.4
  Topological Polar Surface Area (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C22H16N2
  IUPAC Name: 1-(9-phenylfluoren-9-yl)imidazole
  Canonical SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)N5C=CN=C5
  InChI: InChI=1S/C22H16N2/c1-2-8-17(9-3-1)22(24-15-14-23-16-24)20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-16H
  InChIKey: DNCKVRPGVMTVNH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9926623
  CAS Number: 27608-12-4
  TTD ID: D02SIT

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] 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.
• [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] 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.
• [9] Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.