ID: ALA4545167

Max Phase: Preclinical

Molecular Formula: C15H12ClNO2

Molecular Weight: 273.72

Molecule Type: Unknown

Associated Items:

Representations

Canonical SMILES:  O=C(O)CCn1c2ccccc2c2cc(Cl)ccc21

Standard InChI:  InChI=1S/C15H12ClNO2/c16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17(14)8-7-15(18)19/h1-6,9H,7-8H2,(H,18,19)

Standard InChI Key:  XIORJPNRTDKISC-UHFFFAOYSA-N

Associated Targets(Human)

Potassium channel subfamily K member 2 490 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: 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: 273.72Molecular Weight (Monoisotopic): 273.0557AlogP: 3.92#Rotatable Bonds: 3
Polar Surface Area: 42.23Molecular Species: ACIDHBA: 2HBD: 1
#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 4.54CX Basic pKa: CX LogP: 3.63CX LogD: 0.86
Aromatic Rings: 3Heavy Atoms: 19QED Weighted: 0.79Np Likeness Score: -0.90

References

1.  (2016)  Modulation of k2p channels, 

Source