| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2062756
Max Phase: Preclinical
Molecular Formula: C14H8ClNO3S3
Molecular Weight: 369.88
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CN1C(=O)/C(=C/c2csc3ccc(Cl)cc23)SC1=S
Standard InChI: InChI=1S/C14H8ClNO3S3/c15-8-1-2-10-9(4-8)7(6-21-10)3-11-13(19)16(5-12(17)18)14(20)22-11/h1-4,6H,5H2,(H,17,18)/b11-3-
Standard InChI Key: MLUFAPWPCYDSJX-JYOAFUTRSA-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: 369.88 | Molecular Weight (Monoisotopic): 368.9355 | AlogP: 3.84 | #Rotatable Bonds: 3 |
| Polar Surface Area: 57.61 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.11 | CX Basic pKa: | CX LogP: 3.92 | CX LogD: 0.83 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.66 | Np Likeness Score: -1.99 |
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):