8-(4-Chloro-phenyl)-7H-benzo[c]carbazol-2-ol

ID: ALA71161

Chembl Id: CHEMBL71161

PubChem CID: 5330892

Max Phase: Preclinical

Molecular Formula: C22H14ClNO

Molecular Weight: 343.81

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Oc1ccc2ccc3[nH]c4c(-c5ccc(Cl)cc5)cccc4c3c2c1

Standard InChI:  InChI=1S/C22H14ClNO/c23-15-8-4-13(5-9-15)17-2-1-3-18-21-19-12-16(25)10-6-14(19)7-11-20(21)24-22(17)18/h1-12,24-25H

Standard InChI Key:  RCMJBRZIHXIZRA-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

Associated Targets(Human)

CDK4 Tclin Cyclin-dependent kinase 4/cyclin D1 (2340 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SKUT-1A (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Skut1B (14 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: 343.81Molecular Weight (Monoisotopic): 343.0764AlogP: 6.50#Rotatable Bonds: 1
Polar Surface Area: 36.02Molecular Species: NEUTRALHBA: 1HBD: 2
#RO5 Violations: 1HBA (Lipinski): 2HBD (Lipinski): 2#RO5 Violations (Lipinski): 1
CX Acidic pKa: 9.51CX Basic pKa: CX LogP: 6.03CX LogD: 6.02
Aromatic Rings: 5Heavy Atoms: 25QED Weighted: 0.36Np Likeness Score: 0.33

References

1. Carini DJ, Kaltenbach RF, Liu J, Benfield PA, Boylan J, Boisclair M, Brizuela L, Burton CR, Cox S, Grafstrom R, Harrison BA, Harrison K, Akamike E, Markwalder JA, Nakano Y, Seitz SP, Sharp DM, Trainor GL, Sielecki TM..  (2001)  Identification of selective inhibitors of cyclin dependent kinase 4.,  11  (16): [PMID:11514172] [10.1016/s0960-894x(01)00416-4]

Source