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3-Pentyl-3H-imidazo[4,5-c]pyridin-2-amine ID: ALA3326928
Chembl Id: CHEMBL3326928
PubChem CID: 117889749
Max Phase: Preclinical
Molecular Formula: C11H16N4
Molecular Weight: 204.28
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCCCn1c(N)nc2ccncc21
Standard InChI: InChI=1S/C11H16N4/c1-2-3-4-7-15-10-8-13-6-5-9(10)14-11(15)12/h5-6,8H,2-4,7H2,1H3,(H2,12,14)
Standard InChI Key: JXISIUHDKQCERT-UHFFFAOYSA-N
Associated Targets(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
Calculated Properties Molecular Weight: 204.28Molecular Weight (Monoisotopic): 204.1375AlogP: 2.20#Rotatable Bonds: 4Polar Surface Area: 56.73Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 6.87CX LogP: 1.89CX LogD: 1.78Aromatic Rings: 2Heavy Atoms: 15QED Weighted: 0.78Np Likeness Score: -1.17
References 1. Beesu M, Malladi SS, Fox LM, Jones CD, Dixit A, David SA.. (2014) Human Toll-like receptor 8-selective agonistic activities in 1-alkyl-1H-benzimidazol-2-amines., 57 (17): [PMID:25102141 ] [10.1021/jm500701q ]
