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.
2-((5-Bromo-2-((4-(trifluoromethyl)phenyl)amino)pyrimidin-4-yl)oxy)-N-methylbenzamide ID: ALA4794249
Chembl Id: CHEMBL4794249
PubChem CID: 162672619
Max Phase: Preclinical
Molecular Formula: C19H14BrF3N4O2
Molecular Weight: 467.25
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CNC(=O)c1ccccc1Oc1nc(Nc2ccc(C(F)(F)F)cc2)ncc1Br
Standard InChI: InChI=1S/C19H14BrF3N4O2/c1-24-16(28)13-4-2-3-5-15(13)29-17-14(20)10-25-18(27-17)26-12-8-6-11(7-9-12)19(21,22)23/h2-10H,1H3,(H,24,28)(H,25,26,27)
Standard InChI Key: ZLSNCQVGUOKSSQ-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: 467.25Molecular Weight (Monoisotopic): 466.0252AlogP: 5.15#Rotatable Bonds: 5Polar Surface Area: 76.14Molecular Species: NEUTRALHBA: 5HBD: 2#RO5 Violations: 1HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): 1CX Acidic pKa: 12.70CX Basic pKa: 1.52CX LogP: 4.98CX LogD: 4.98Aromatic Rings: 3Heavy Atoms: 29QED Weighted: 0.54Np Likeness Score: -1.49
References 1. Sun D,Yang Z,Zhen Y,Yang Y,Chen Y,Yuan Y,Zhang L,Zeng X,Chen L. (2020) Discovery of 5-bromo-4-phenoxy-N-phenylpyrimidin-2-amine derivatives as novel ULK1 inhibitors that block autophagy and induce apoptosis in non-small cell lung cancer., 208 [PMID:32961380 ] [10.1016/j.ejmech.2020.112782 ]