5-chloro-N-hexyl-N-methyl-2H-indazole-2-carboxamide

ID: ALA3277493

Chembl Id: CHEMBL3277493

PubChem CID: 12285828

Max Phase: Preclinical

Molecular Formula: C15H20ClN3O

Molecular Weight: 293.80

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CCCCCCN(C)C(=O)n1cc2cc(Cl)ccc2n1

Standard InChI:  InChI=1S/C15H20ClN3O/c1-3-4-5-6-9-18(2)15(20)19-11-12-10-13(16)7-8-14(12)17-19/h7-8,10-11H,3-6,9H2,1-2H3

Standard InChI Key:  NUKLXUWEFAPMLV-UHFFFAOYSA-N

Alternative Forms

Associated Targets(non-human)

Trichinella spiralis (212 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: 293.80Molecular Weight (Monoisotopic): 293.1295AlogP: 4.17#Rotatable Bonds: 5
Polar Surface Area: 38.13Molecular Species: NEUTRALHBA: 3HBD:
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 3.90CX LogD: 3.90
Aromatic Rings: 2Heavy Atoms: 20QED Weighted: 0.78Np Likeness Score: -1.16

References

1. Kingsbury WD, Gyurik RJ, Theodorides VJ, Parish RC, Gallagher G..  (1976)  Synthesis of 1- and 2-substituted indazoles as anthelmintic agents.,  19  (6): [PMID:950654] [10.1021/jm00228a021]

Source