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ID: ALA2270740
Max Phase: Preclinical
Molecular Formula: C11H15N3
Molecular Weight: 189.26
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CC(C)(C)n1c(N)nc2ccccc21
Standard InChI: InChI=1S/C11H15N3/c1-11(2,3)14-9-7-5-4-6-8(9)13-10(14)12/h4-7H,1-3H3,(H2,12,13)
Standard InChI Key: HDEFXNYIQDDCSW-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Properties Molecular Weight: 189.26Molecular Weight (Monoisotopic): 189.1266AlogP: 2.37#Rotatable Bonds: 0Polar Surface Area: 43.84Molecular Species: NEUTRALHBA: 3HBD: 1#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 7.60CX LogP: 2.39CX LogD: 2.00Aromatic Rings: 2Heavy Atoms: 14QED Weighted: 0.69Np Likeness Score: -0.94
References 1. Vlaovic D, Canadanovic-Brunet J, Balaz J, Juranic I, Djokovic D, Mackenzie K. (1992) Synthesis, AntiBacteriol, and Antifungal Activities of Some New Benzimidazoles, 56 (2): [10.1271/bbb.56.199 ]
