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3-(6-amino-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)piperidine-2,6-dione ID: ALA4476348
Chembl Id: CHEMBL4476348
PubChem CID: 142469949
Max Phase: Preclinical
Molecular Formula: C12H11N5O3
Molecular Weight: 273.25
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: Nc1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
Standard InChI: InChI=1S/C12H11N5O3/c13-6-1-2-8-7(5-6)12(20)17(16-15-8)9-3-4-10(18)14-11(9)19/h1-2,5,9H,3-4,13H2,(H,14,18,19)
Standard InChI Key: QUCCZRHIQRWDIF-UHFFFAOYSA-N
Associated Targets(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: 273.25Molecular Weight (Monoisotopic): 273.0862AlogP: -0.65#Rotatable Bonds: 1Polar Surface Area: 119.97Molecular Species: NEUTRALHBA: 7HBD: 2#RO5 Violations: ┄HBA (Lipinski): 8HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.59CX Basic pKa: 1.94CX LogP: 0.28CX LogD: 0.28Aromatic Rings: 2Heavy Atoms: 20QED Weighted: 0.53Np Likeness Score: -0.92
References 1. Kim SA, Go A, Jo SH, Park SJ, Jeon YU, Kim JE, Lee HK, Park CH, Lee CO, Park SG, Kim P, Park BC, Cho SY, Kim S, Ha JD, Kim JH, Hwang JY.. (2019) A novel cereblon modulator for targeted protein degradation., 166 [PMID:30684871 ] [10.1016/j.ejmech.2019.01.023 ]