| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5276945
Max Phase: Preclinical
Molecular Formula: C12H11ClN2O4S2
Molecular Weight: 346.82
Associated Items:
Representations
Canonical SMILES: NS(=O)(=O)c1cc(C(=O)O)c(NCc2cccs2)cc1Cl
Standard InChI: InChI=1S/C12H11ClN2O4S2/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
Standard InChI Key: GTAFUBDGBLSUOX-UHFFFAOYSA-N
Associated Targets(Human)
CDGSH iron-sulfur domain-containing protein 1 222 Activities
Molecule Features
| 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 |
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: 346.82 | Molecular Weight (Monoisotopic): 345.9849 | AlogP: 2.36 | #Rotatable Bonds: 5 |
| Polar Surface Area: 109.49 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.26 | CX Basic pKa: | CX LogP: 2.60 | CX LogD: -0.39 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.77 | Np Likeness Score: -2.24 |
References
| 1. Newton E, Starcovic SA, Menze M, Konkle ME, Long TE, Hazlehurst LA, Huber JD, Robart AR, Geldenhuys WJ.. (2023) Development of a fluorescence screening assay for binding partners of the iron-sulfur mitochondrial protein mitoNEET., 89 [PMID:37137430] [10.1016/j.bmcl.2023.129310] |
Source
Source(1):