(2-(2-fluorophenyl)ethylidene)hydrazine

ID: ALA2235136

Chembl Id: CHEMBL2235136

PubChem CID: 76308013

Max Phase: Preclinical

Molecular Formula: C8H9FN2

Molecular Weight: 152.17

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  N/N=C/Cc1ccccc1F

Standard InChI:  InChI=1S/C8H9FN2/c9-8-4-2-1-3-7(8)5-6-11-10/h1-4,6H,5,10H2/b11-6+

Standard InChI Key:  ZJTPZBQIIJVIAM-IZZDOVSWSA-N

Alternative Forms

Associated Targets(Human)

ABAT Tclin Gamma-amino-N-butyrate transaminase (140 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 152.17Molecular Weight (Monoisotopic): 152.0750AlogP: 1.31#Rotatable Bonds: 2
Polar Surface Area: 38.38Molecular Species: NEUTRALHBA: 2HBD: 1
#RO5 Violations: 0HBA (Lipinski): 2HBD (Lipinski): 2#RO5 Violations (Lipinski): 0
CX Acidic pKa: CX Basic pKa: 3.30CX LogP: 1.31CX LogD: 1.31
Aromatic Rings: 1Heavy Atoms: 11QED Weighted: 0.39Np Likeness Score: -1.01

References

1. Bansal SK, Sinha BN, Khosa RL, Olson AJ.  (2011)  Novel GABA-AT inhibitors: QSAR and docking based virtual screening of phenyl substituted -phenyl ethylidene hydrazine analogues,  20  (9): [10.1007/s00044-010-9390-6]

Source