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N-(1H-benzo[d]imidazol-2-yl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide

ID: ALA5278054

Chembl Id: CHEMBL5278054

Max Phase: Preclinical

Molecular Formula: C17H14ClN3O

Molecular Weight: 311.77

Associated Items:

Names and Identifiers

Canonical SMILES:  O=C(Nc1nc2ccccc2[nH]1)C1CC1c1ccccc1Cl

Standard InChI:  InChI=1S/C17H14ClN3O/c18-13-6-2-1-5-10(13)11-9-12(11)16(22)21-17-19-14-7-3-4-8-15(14)20-17/h1-8,11-12H,9H2,(H2,19,20,21,22)

Standard InChI Key:  MGVCJDUADZGAFE-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA5278054

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Associated Targets(Human)

LPAR2 Tchem Lysophosphatidic acid receptor Edg-4 (418 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Calculated Properties

Molecular Weight: 311.77Molecular Weight (Monoisotopic): 311.0825AlogP: 3.96#Rotatable Bonds: 3
Polar Surface Area: 57.78Molecular Species: NEUTRALHBA: 2HBD: 2
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski):
CX Acidic pKa: 8.84CX Basic pKa: 2.55CX LogP: 3.99CX LogD: 3.97
Aromatic Rings: 3Heavy Atoms: 22QED Weighted: 0.77Np Likeness Score: -1.27

References

1. Meduri B, Pujar GV, Durai Ananda Kumar T, Akshatha HS, Sethu AK, Singh M, Kanagarla A, Mathew B..  (2021)  Lysophosphatidic acid (LPA) receptor modulators: Structural features and recent development.,  222  [PMID:34126459] [10.1016/j.ejmech.2021.113574]

Source