(S)-N-(1-((5-(N-(tert-butyl)sulfamoyl)naphthalen-1-yl)amino)-1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide

ID: ALA4534428

Chembl Id: CHEMBL4534428

PubChem CID: 146503452

Max Phase: Preclinical

Molecular Formula: C27H31N3O4S

Molecular Weight: 493.63

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)C3CC3)cccc12

Standard InChI:  InChI=1S/C27H31N3O4S/c1-27(2,3)30-35(33,34)24-14-8-11-20-21(24)12-7-13-22(20)28-26(32)23(29-25(31)19-15-16-19)17-18-9-5-4-6-10-18/h4-14,19,23,30H,15-17H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1

Standard InChI Key:  JSNVUWHDPLJARW-QHCPKHFHSA-N

Alternative Forms

  1. Parent:

    ALA4534428

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Associated Targets(Human)

USP30 Tchem Ubiquitin carboxyl-terminal hydrolase 30 (944 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP45 Tbio Ubiquitin carboxyl-terminal hydrolase 45 (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYLD Tbio Ubiquitin carboxyl-terminal hydrolase CYLD (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP36 Tbio Ubiquitin carboxyl-terminal hydrolase 36 (9 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP35 Tbio Ubiquitin carboxyl-terminal hydrolase 35 (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP28 Tchem Ubiquitin carboxyl-terminal hydrolase 28 (268 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP27X Tbio Ubiquitin carboxyl-terminal hydrolase 27 (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP25 Tchem Ubiquitin carboxyl-terminal hydrolase 25 (268 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP21 Tbio Ubiquitin carboxyl-terminal hydrolase 21 (108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP19 Tbio Ubiquitin carboxyl-terminal hydrolase 19 (667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP20 Tbio Ubiquitin carboxyl-terminal hydrolase 20 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP16 Tbio Ubiquitin carboxyl-terminal hydrolase 16 (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP15 Tbio Ubiquitin carboxyl-terminal hydrolase 15 (7 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP14 Tchem Ubiquitin carboxyl-terminal hydrolase 14 (35 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP11 Tbio Ubiquitin carboxyl-terminal hydrolase 11 (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP8 Tchem Ubiquitin carboxyl-terminal hydrolase 8 (245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP9X Tbio Probable ubiquitin carboxyl-terminal hydrolase FAF-X (500 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP7 Tchem Ubiquitin carboxyl-terminal hydrolase 7 (837 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP6 Tbio Ubiquitin carboxyl-terminal hydrolase 6 (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP4 Tchem Ubiquitin carboxyl-terminal hydrolase 4 (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP5 Tchem Ubiquitin carboxyl-terminal hydrolase 5 (172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Usp30 Ubiquitin carboxyl-terminal hydrolase 30 (2 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: 493.63Molecular Weight (Monoisotopic): 493.2035AlogP: 3.99#Rotatable Bonds: 8
Polar Surface Area: 104.37Molecular Species: NEUTRALHBA: 4HBD: 3
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 9.88CX Basic pKa: CX LogP: 3.98CX LogD: 3.98
Aromatic Rings: 3Heavy Atoms: 35QED Weighted: 0.44Np Likeness Score: -1.22

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]