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.
(S)-N-(1-((5-(N-(tert-butyl)sulfamoyl)naphthalen-1-yl)amino)-1-oxo-3-phenylpropan-2-yl)cyclopentanecarboxamide ID: ALA4474047
Chembl Id: CHEMBL4474047
PubChem CID: 146013722
Max Phase: Preclinical
Molecular Formula: C29H35N3O4S
Molecular Weight: 521.68
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)C3CCCC3)cccc12
Standard InChI: InChI=1S/C29H35N3O4S/c1-29(2,3)32-37(35,36)26-18-10-15-22-23(26)16-9-17-24(22)30-28(34)25(19-20-11-5-4-6-12-20)31-27(33)21-13-7-8-14-21/h4-6,9-12,15-18,21,25,32H,7-8,13-14,19H2,1-3H3,(H,30,34)(H,31,33)/t25-/m0/s1
Standard InChI Key: QECQIZIVMWVPGS-VWLOTQADSA-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: 521.68Molecular Weight (Monoisotopic): 521.2348AlogP: 4.77#Rotatable Bonds: 8Polar Surface Area: 104.37Molecular Species: NEUTRALHBA: 4HBD: 3#RO5 Violations: 1HBA (Lipinski): 7HBD (Lipinski): 3#RO5 Violations (Lipinski): 1CX Acidic pKa: 9.88CX Basic pKa: ┄CX LogP: 4.87CX LogD: 4.87Aromatic Rings: 3Heavy Atoms: 37QED Weighted: 0.40Np Likeness Score: -1.17
References 1. (2018) Usp30 inhibitors, 2. Kluge AF,Lagu BR,Maiti P,Jaleel M,Webb M,Malhotra J,Mallat A,Srinivas PA,Thompson JE. (2018) Novel highly selective inhibitors of ubiquitin specific protease 30 (USP30) accelerate mitophagy., 28 (15): [PMID:29935771 ] [10.1016/j.bmcl.2018.05.013 ]