Details of the Drug

General Information of Drug (ID: DMW9I1X)

Drug Name

4-Fluoren-9-ylidenemethyl-pyridine

Synonyms

MLS002694154; 4-(9H-fluoren-9-ylidenemethyl)pyridine; 4-Fluoren-9-ylidenemethyl-pyridine; NSC83319; AC1L5UM6; NCIOpen2_004593; Oprea1_438447; Oprea1_732020; BDBM8644; CHEMBL383145; 9-(4-pyridylmethylene)fluorene; SCHEMBL8276094; CTK7D1435; (4-Pyridylmethylene)fluorene 34; HMS3088F22; 4-(fluoren-9-ylidenemethyl)pyridine; ZINC13283063; NSC-83319; AKOS000634958; Pyridine, 4-(fluoren-9-ylidenemethyl)-; 4-(9H-Fluorene-9-ylidenemethyl)pyridine; SMR001560085; BAS 00004846; SR-01000321373

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

255.3

Topological Polar Surface Area (xlogp)

4.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C19H13N
IUPAC Name: 4-(fluoren-9-ylidenemethyl)pyridine
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=NC=C4
InChI: InChI=1S/C19H13N/c1-3-7-17-15(5-1)16-6-2-4-8-18(16)19(17)13-14-9-11-20-12-10-14/h1-13H
InChIKey: YVNXZDHQCSSQMR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 256445
TTD ID: D04IJE

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

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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.