| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4467649
Max Phase: Preclinical
Molecular Formula: C30H31N3O4S
Molecular Weight: 529.66
Molecule Type: Unknown
Associated Items:
Representations
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)
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: 529.66 | Molecular Weight (Monoisotopic): 529.2035 | AlogP: 4.90 | #Rotatable Bonds: 8 |
| Polar Surface Area: 104.37 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.88 | CX Basic pKa: | CX LogP: 5.06 | CX LogD: 5.06 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.30 | Np 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] |
Source
Source(2):