| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4454683
Max Phase: Preclinical
Molecular Formula: C31H39N3O4S
Molecular Weight: 549.74
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)CC1
Standard InChI: InChI=1S/C31H39N3O4S/c1-21-16-18-23(19-17-21)29(35)33-27(20-22-10-6-5-7-11-22)30(36)32-26-14-8-13-25-24(26)12-9-15-28(25)39(37,38)34-31(2,3)4/h5-15,21,23,27,34H,16-20H2,1-4H3,(H,32,36)(H,33,35)/t21?,23?,27-/m0/s1
Standard InChI Key: CLLZPMVOZDBRHR-ZKPZBSICSA-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: 549.74 | Molecular Weight (Monoisotopic): 549.2661 | AlogP: 5.41 | #Rotatable Bonds: 8 |
| Polar Surface Area: 104.37 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 9.88 | CX Basic pKa: | CX LogP: 5.60 | CX LogD: 5.60 |
| Aromatic Rings: 3 | Heavy Atoms: 39 | QED Weighted: 0.35 | Np Likeness Score: -1.09 |
References
| 1. (2018) Usp30 inhibitors, |
Source
Source(1):