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.
SID26664508 ID: ALA1425336
Chembl Id: CHEMBL1425336
Cas Number: 6937-98-0
PubChem CID: 232048
Max Phase: Preclinical
Molecular Formula: C16H24N2O2
Molecular Weight: 276.38
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(C)(C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1
Standard InChI: InChI=1S/C16H24N2O2/c1-15(2,3)13(19)17-11-7-9-12(10-8-11)18-14(20)16(4,5)6/h7-10H,1-6H3,(H,17,19)(H,18,20)
Standard InChI Key: YEWVKBUFRDKCAG-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: 276.38Molecular Weight (Monoisotopic): 276.1838AlogP: 3.66#Rotatable Bonds: 2Polar Surface Area: 58.20Molecular Species: NEUTRALHBA: 2HBD: 2#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 13.74CX Basic pKa: ┄CX LogP: 4.05CX LogD: 4.05Aromatic Rings: 1Heavy Atoms: 20QED Weighted: 0.87Np Likeness Score: -0.79
References 1. PubChem BioAssay data set, 2. Johannes Zuegg, Alysha Elliott, Maite Amado, Emma Cowie, Ali Hinton, Geraldine Kaeslin, Angela Kavanagh, Anne Kunert, Gabriell Lowe, Soumya Ramu, Janet Reid, Robin Trauer, Mathilde Desselle, Ruth Neale, Karl Hansford, Mark Blascovich, Matthew Cooper. CO-ADD screening of NIH NCI Diversity Set V, [10.6019/CHEMBL4296182 ]
