| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4451888
Max Phase: Preclinical
Molecular Formula: C28H29N5O4S
Molecular Weight: 531.64
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ncccn3)cccc12
Standard InChI: InChI=1S/C28H29N5O4S/c1-28(2,3)33-38(36,37)24-15-8-12-20-21(24)13-7-14-22(20)31-26(34)23(18-19-10-5-4-6-11-19)32-27(35)25-29-16-9-17-30-25/h4-17,23,33H,18H2,1-3H3,(H,31,34)(H,32,35)/t23-/m0/s1
Standard InChI Key: APIMXUDTMIUDED-QHCPKHFHSA-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: 531.64 | Molecular Weight (Monoisotopic): 531.1940 | AlogP: 3.69 | #Rotatable Bonds: 8 |
| Polar Surface Area: 130.15 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.88 | CX Basic pKa: 0.21 | CX LogP: 3.77 | CX LogD: 3.76 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.32 | Np Likeness Score: -1.21 |
References
| 1. (2018) Usp30 inhibitors, |
Source
Source(1):