| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1171971
Max Phase: Preclinical
Molecular Formula: C10H7Cl2NO2S2
Molecular Weight: 308.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(Nc1ccccc1)c1cc(Cl)sc1Cl
Standard InChI: InChI=1S/C10H7Cl2NO2S2/c11-9-6-8(10(12)16-9)17(14,15)13-7-4-2-1-3-5-7/h1-6,13H
Standard InChI Key: ILXABJHIVUDACG-UHFFFAOYSA-N
Associated Targets(non-human)
Protein kinase Pfmrk 149 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: 308.21 | Molecular Weight (Monoisotopic): 306.9295 | AlogP: 3.86 | #Rotatable Bonds: 3 |
| Polar Surface Area: 46.17 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.67 | CX Basic pKa: | CX LogP: 3.78 | CX LogD: 3.18 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.94 | Np Likeness Score: -2.17 |
References
| 1. Caridha D, Kathcart AK, Jirage D, Waters NC.. (2010) Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases., 20 (13): [PMID:20627564] [10.1016/j.bmcl.2010.05.039] |
| 2. Rotella DP.. (2012) Recent results in protein kinase inhibition for tropical diseases., 22 (22): [PMID:23063403] [10.1016/j.bmcl.2012.09.044] |
Source
Source(1):