| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392903
Max Phase: Preclinical
Molecular Formula: C21H15ClN4O3S2
Molecular Weight: 470.96
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccc(Cl)c1
Standard InChI: InChI=1S/C21H15ClN4O3S2/c22-15-7-4-8-16(11-15)31(28,29)26-18-12-23-10-9-17(18)20(27)25-21-24-19(13-30-21)14-5-2-1-3-6-14/h1-13,26H,(H,24,25,27)
Standard InChI Key: ZQYPKLQRARHIRS-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 2 8818 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 470.96 | Molecular Weight (Monoisotopic): 470.0274 | AlogP: 4.91 | #Rotatable Bonds: 6 |
| Polar Surface Area: 101.05 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.49 | CX Basic pKa: 0.48 | CX LogP: 4.32 | CX LogD: 3.64 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.42 | Np Likeness Score: -2.36 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):