| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4855650
Max Phase: Preclinical
Molecular Formula: C20H13NO4S
Molecular Weight: 363.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
Standard InChI: InChI=1S/C20H13NO4S/c22-19-17-8-4-5-9-18(17)20(23)21(19)26(24,25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
Standard InChI Key: GWMPMXHLDRQVMG-UHFFFAOYSA-N
Associated Targets(Human)
PARL Tchem Presenilins-associated rhomboid-like protein, mitochondrial (56 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: 363.39 | Molecular Weight (Monoisotopic): 363.0565 | AlogP: 3.34 | #Rotatable Bonds: 3 |
| Polar Surface Area: 71.52 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.94 | CX LogD: 3.94 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.67 | Np Likeness Score: -0.71 |
References
| 1. Parsons WH, Rutland NT, Crainic JA, Cardozo JM, Chow AS, Andrews CL, Sheehan BK.. (2021) Development of succinimide-based inhibitors for the mitochondrial rhomboid protease PARL., 49 [PMID:34311087] [10.1016/j.bmcl.2021.128290] |
Source
Source(1):