The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
Phenyl(4-(3-(m-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl)methanone ID: ALA4529301
Chembl Id: CHEMBL4529301
PubChem CID: 155545256
Max Phase: Preclinical
Molecular Formula: C23H22N6O
Molecular Weight: 398.47
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cccc(-c2nnc3ccc(N4CCN(C(=O)c5ccccc5)CC4)nn23)c1
Standard InChI: InChI=1S/C23H22N6O/c1-17-6-5-9-19(16-17)22-25-24-20-10-11-21(26-29(20)22)27-12-14-28(15-13-27)23(30)18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3
Standard InChI Key: UPYOZLWVEBOJPB-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 398.47Molecular Weight (Monoisotopic): 398.1855AlogP: 3.06#Rotatable Bonds: 3Polar Surface Area: 66.63Molecular Species: NEUTRALHBA: 6HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 1.57CX LogP: 3.86CX LogD: 3.86Aromatic Rings: 4Heavy Atoms: 30QED Weighted: 0.53Np Likeness Score: -2.38
References 1. Bindu B, Vijayalakshmi S, Manikandan A.. (2020) Synthesis and discovery of triazolo-pyridazine-6-yl-substituted piperazines as effective anti-diabetic drugs; evaluated over dipeptidyl peptidase-4 inhibition mechanism and insulinotropic activities., 187 [PMID:31812034 ] [10.1016/j.ejmech.2019.111912 ]