| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4793428
Max Phase: Preclinical
Molecular Formula: C31H33N3O4S
Molecular Weight: 543.69
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)c1cccc2c(S(=O)(=O)NC(C)(C)C)cccc12
Standard InChI: InChI=1S/C31H33N3O4S/c1-31(2,3)33-39(37,38)28-20-12-17-24-25(28)18-11-19-27(24)34(4)30(36)26(21-22-13-7-5-8-14-22)32-29(35)23-15-9-6-10-16-23/h5-20,26,33H,21H2,1-4H3,(H,32,35)
Standard InChI Key: JRKUXYWQBYGLDV-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 30 944 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: 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 |
|---|
Properties
| Molecular Weight: 543.69 | Molecular Weight (Monoisotopic): 543.2192 | AlogP: 4.92 | #Rotatable Bonds: 8 |
| Polar Surface Area: 95.58 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.88 | CX Basic pKa: | CX LogP: 4.92 | CX LogD: 4.92 |
| Aromatic Rings: 4 | Heavy Atoms: 39 | QED Weighted: 0.33 | Np Likeness Score: -1.08 |
References
| 1. 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] |
Source
Source(1):