Details of the Drug

General Information of Drug (ID: DMR29IQ)

Drug Name

3-Fluoren-9-ylidenemethyl-pyridine

Synonyms

3-(9h-fluoren-9-ylidenemethyl)pyridine; 3-(fluoren-9-ylidenemethyl)pyridine; 3239-00-7; NSC83320; AC1Q4YVX; AC1L5UM9; NCIOpen2_004633; CHEMBL194928; BDBM8637; SCHEMBL8276088; CTK1C4120; (3-Pyridylmethylene)fluorene 32; DTXSID10292510; NSC-83320; ZINC13283158; AKOS030540073; 3-(9H-Fluorene-9-ylidenemethyl)pyridine

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

510.6

Topological Polar Surface Area

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C38H26N2
IUPAC Name: 3-(fluoren-9-ylidenemethyl)pyridine
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CN=CC=C4.C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CN=CC=C4
InChI: InChI=1S/2C19H13N/c2*1-3-9-17-15(7-1)16-8-2-4-10-18(16)19(17)12-14-6-5-11-20-13-14/h2*1-13H
InChIKey: QQJHSQKNTSNWIQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 139138079
TTD ID: D00GCK

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitor... J Med Chem. 2005 Mar 10;48(5):1563-75.
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.