| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4445559
Max Phase: Preclinical
Molecular Formula: C30H32N4O4S
Molecular Weight: 544.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)n1
Standard InChI: InChI=1S/C30H32N4O4S/c1-20-11-8-17-25(31-20)28(35)33-26(19-21-12-6-5-7-13-21)29(36)32-24-16-9-15-23-22(24)14-10-18-27(23)39(37,38)34-30(2,3)4/h5-18,26,34H,19H2,1-4H3,(H,32,36)(H,33,35)/t26-/m0/s1
Standard InChI Key: RPMUPAMDBOWVBK-SANMLTNESA-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: 544.68 | Molecular Weight (Monoisotopic): 544.2144 | AlogP: 4.60 | #Rotatable Bonds: 8 |
| Polar Surface Area: 117.26 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.88 | CX Basic pKa: 2.84 | CX LogP: 4.36 | CX LogD: 4.36 |
| Aromatic Rings: 4 | Heavy Atoms: 39 | QED Weighted: 0.30 | Np Likeness Score: -1.30 |
References
| 1. (2018) Usp30 inhibitors, |
Source
Source(1):