ID: ALA5206894
Chembl Id: CHEMBL5206894
PubChem CID: 12351241
Max Phase: Preclinical
Molecular Formula: C19H14ClNS
Molecular Weight: 323.85
Associated Items:
Canonical SMILES: Clc1ccc2c(c1)N(Cc1ccccc1)c1ccccc1S2
Standard InChI: InChI=1S/C19H14ClNS/c20-15-10-11-19-17(12-15)21(13-14-6-2-1-3-7-14)16-8-4-5-9-18(16)22-19/h1-12H,13H2
Standard InChI Key: UINSXUPEARVSMF-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 323.85 | Molecular Weight (Monoisotopic): 323.0535 | AlogP: 6.14 | #Rotatable Bonds: 2 |
| Polar Surface Area: 3.24 | Molecular Species: ┄ | HBA: 2 | HBD: ┄ |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 6.18 | CX LogD: 6.18 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.56 | Np Likeness Score: -1.35 |
| 1. Staerz SD, Jones CL, Tepe JJ.. (2022) Design, Synthesis, and Biological Evaluation of Potent 20S Proteasome Activators for the Potential Treatment of α-Synucleinopathies., 65 (9.0): [PMID:35476454] [10.1021/acs.jmedchem.1c02158] |
Source(1):
