(R)-N-(1-((5-(N-(tert-butyl)sulfamoyl)naphthalen-1-yl)amino)-1-oxo-3-phenylpropan2-yl)benzamide

ID: ALA4467649

Chembl Id: CHEMBL4467649

PubChem CID: 27060309

Max Phase: Preclinical

Molecular Formula: C30H31N3O4S

Molecular Weight: 529.66

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cccc12

Standard InChI:  InChI=1S/C30H31N3O4S/c1-30(2,3)33-38(36,37)27-19-11-16-23-24(27)17-10-18-25(23)31-29(35)26(20-21-12-6-4-7-13-21)32-28(34)22-14-8-5-9-15-22/h4-19,26,33H,20H2,1-3H3,(H,31,35)(H,32,34)/t26-/m1/s1

Standard InChI Key:  GIXYSOPAEGHVQN-AREMUKBSSA-N

Associated Targets(Human)

USP30 Tchem Ubiquitin carboxyl-terminal hydrolase 30 (944 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 529.66Molecular Weight (Monoisotopic): 529.2035AlogP: 4.90#Rotatable Bonds: 8
Polar Surface Area: 104.37Molecular Species: NEUTRALHBA: 4HBD: 3
#RO5 Violations: 1HBA (Lipinski): 7HBD (Lipinski): 3#RO5 Violations (Lipinski): 1
CX Acidic pKa: 9.88CX Basic pKa: CX LogP: 5.06CX LogD: 5.06
Aromatic Rings: 4Heavy Atoms: 38QED Weighted: 0.30Np Likeness Score: -1.06

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]