ID: ALA1563064

Max Phase: Preclinical

Molecular Formula: C10H8ClNO

Molecular Weight: 193.63

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  Cc1cccc2c(Cl)cc(O)nc12

Standard InChI:  InChI=1S/C10H8ClNO/c1-6-3-2-4-7-8(11)5-9(13)12-10(6)7/h2-5H,1H3,(H,12,13)

Standard InChI Key:  LIKQTOQMZQQNTH-UHFFFAOYSA-N

Associated Targets(Human)

Muscleblind-like protein 1 34431 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: 193.63Molecular Weight (Monoisotopic): 193.0294AlogP: 2.90#Rotatable Bonds: 0
Polar Surface Area: 33.12Molecular Species: NEUTRALHBA: 2HBD: 1
#RO5 Violations: 0HBA (Lipinski): 2HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 11.04CX Basic pKa: 0.82CX LogP: 3.54CX LogD: 3.54
Aromatic Rings: 2Heavy Atoms: 13QED Weighted: 0.70Np Likeness Score: -1.34

References

1. PubChem BioAssay data set, 

Source

Source(1):