ID: ALA2356332

Max Phase: Preclinical

Molecular Formula: C22H16F2O2

Molecular Weight: 350.36

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F

Standard InChI:  InChI=1S/C22H16F2O2/c23-19-7-4-8-20(24)22(19)21(25)14-11-16-9-12-18(13-10-16)26-15-17-5-2-1-3-6-17/h1-14H,15H2

Standard InChI Key:  HVHROOIVCVTTKV-UHFFFAOYSA-N

Associated Targets(Human)

Probable global transcription activator SNF2L2 466 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

Properties

Molecular Weight: 350.36Molecular Weight (Monoisotopic): 350.1118AlogP: 5.44#Rotatable Bonds: 6
Polar Surface Area: 26.30Molecular Species: NEUTRALHBA: 2HBD: 0
#RO5 Violations: 1HBA (Lipinski): 2HBD (Lipinski): 0#RO5 Violations (Lipinski): 1
CX Acidic pKa: CX Basic pKa: CX LogP: 5.74CX LogD: 5.74
Aromatic Rings: 3Heavy Atoms: 26QED Weighted: 0.44Np Likeness Score: -0.56

References

1. PubChem BioAssay data set, 

Source

Source(1):