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3-(1H-Indol-5-yl)-6-methoxy-imidazo[1,2-b]pyridazine ID: ALA4079347
Chembl Id: CHEMBL4079347
PubChem CID: 137651314
Max Phase: Preclinical
Molecular Formula: C15H12N4O
Molecular Weight: 264.29
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: COc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Standard InChI: InChI=1S/C15H12N4O/c1-20-15-5-4-14-17-9-13(19(14)18-15)11-2-3-12-10(8-11)6-7-16-12/h2-9,16H,1H3
Standard InChI Key: HTNKXRHQVGPWRO-UHFFFAOYSA-N
Associated Targets(Human) 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
Calculated Properties Molecular Weight: 264.29Molecular Weight (Monoisotopic): 264.1011AlogP: 2.89#Rotatable Bonds: 2Polar Surface Area: 55.21Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 3.42CX LogP: 2.76CX LogD: 2.76Aromatic Rings: 4Heavy Atoms: 20QED Weighted: 0.61Np Likeness Score: -1.53
References 1. Bendjeddou LZ, Loaëc N, Villiers B, Prina E, Späth GF, Galons H, Meijer L, Oumata N.. (2017) Exploration of the imidazo[1,2-b]pyridazine scaffold as a protein kinase inhibitor., 125 [PMID:27721154 ] [10.1016/j.ejmech.2016.09.064 ]
