5-Imidazol-1-yl-2-pyridin-2-yl-1H-benzoimidazole

ID: ALA140647

Chembl Id: CHEMBL140647

PubChem CID: 9992817

Max Phase: Preclinical

Molecular Formula: C15H11N5

Molecular Weight: 261.29

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  c1ccc(-c2nc3cc(-n4ccnc4)ccc3[nH]2)nc1

Standard InChI:  InChI=1S/C15H11N5/c1-2-6-17-13(3-1)15-18-12-5-4-11(9-14(12)19-15)20-8-7-16-10-20/h1-10H,(H,18,19)

Standard InChI Key:  JEWVUZWRPYNJEE-UHFFFAOYSA-N

Alternative Forms

Associated Targets(Human)

CBFB Tchem Core-binding factor subunit beta (36 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 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: 261.29Molecular Weight (Monoisotopic): 261.1014AlogP: 2.81#Rotatable Bonds: 2
Polar Surface Area: 59.39Molecular Species: NEUTRALHBA: 4HBD: 1
#RO5 Violations: HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: 11.16CX Basic pKa: 6.05CX LogP: 2.22CX LogD: 2.20
Aromatic Rings: 4Heavy Atoms: 20QED Weighted: 0.60Np Likeness Score: -2.16

References

1. Güngör T, Fouquet A, Teulon JM, Provost D, Cazes M, Cloarec A..  (1992)  Cardiotonic agents. Synthesis and cardiovascular properties of novel 2-arylbenzimidazoles and azabenzimidazoles.,  35  (23): [PMID:1447745] [10.1021/jm00101a024]
2.  (2014)  Inhibitors of inv(16) leukemia,