| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2062731
Max Phase: Preclinical
Molecular Formula: C10H5Cl2NOS2
Molecular Weight: 290.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1NC(=S)S/C1=C\c1cc(Cl)cc(Cl)c1
Standard InChI: InChI=1S/C10H5Cl2NOS2/c11-6-1-5(2-7(12)4-6)3-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-3-
Standard InChI Key: OGYGRXXTPVHAFZ-BAQGIRSFSA-N
Associated Targets(Human)
Dynamin-1 215 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: 290.20 | Molecular Weight (Monoisotopic): 288.9190 | AlogP: 3.48 | #Rotatable Bonds: 1 |
| Polar Surface Area: 29.10 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.93 | CX Basic pKa: | CX LogP: 3.95 | CX LogD: 2.12 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.63 | Np Likeness Score: -1.86 |
References
| 1. Robertson MJ, Hadzic G, Ambrus J, Pomè DY, Hyde E, Whiting A, Mariana A, von Kleist L, Chau N, Haucke V, Robinson PJ, McCluskey A.. (2012) The Rhodadyns, a New Class of Small Molecule Inhibitors of Dynamin GTPase Activity., 3 (5): [PMID:24900478] [10.1021/ml200284s] |
Source
Source(1):