ID: ALA5267364

Max Phase: Preclinical

Molecular Formula: C19H14N2

Molecular Weight: 270.33

Associated Items:

Representations

Canonical SMILES:  c1ccc(-c2nc(-c3cccc4ccccc34)c[nH]2)cc1

Standard InChI:  InChI=1S/C19H14N2/c1-2-8-15(9-3-1)19-20-13-18(21-19)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21)

Standard InChI Key:  JQJKWVIUFZWDPH-UHFFFAOYSA-N

Associated Targets(non-human)

Trypanosoma cruzi 99888 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

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Properties

Molecular Weight: 270.33Molecular Weight (Monoisotopic): 270.1157AlogP: 4.90#Rotatable Bonds: 2
Polar Surface Area: 28.68Molecular Species: NEUTRALHBA: 1HBD: 1
#RO5 Violations: 0HBA (Lipinski): 2HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 12.86CX Basic pKa: 5.26CX LogP: 4.90CX LogD: 4.90
Aromatic Rings: 4Heavy Atoms: 21QED Weighted: 0.55Np Likeness Score: -0.55

References

1. Beltran-Hortelano I, Alcolea V, Font M, Pérez-Silanes S..  (2020)  The role of imidazole and benzimidazole heterocycles in Chagas disease: A review.,  206  [PMID:32818869] [10.1016/j.ejmech.2020.112692]

Source