| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2062766
Max Phase: Preclinical
Molecular Formula: C15H10ClNO3S3
Molecular Weight: 383.90
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CCN1C(=O)/C(=C/c2csc3ccc(Cl)cc23)SC1=S
Standard InChI: InChI=1S/C15H10ClNO3S3/c16-9-1-2-11-10(6-9)8(7-22-11)5-12-14(20)17(15(21)23-12)4-3-13(18)19/h1-2,5-7H,3-4H2,(H,18,19)/b12-5-
Standard InChI Key: GDPMGNBUYVVMDO-XGICHPGQSA-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: 383.90 | Molecular Weight (Monoisotopic): 382.9511 | AlogP: 4.23 | #Rotatable Bonds: 4 |
| 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: 4.67 | CX Basic pKa: | CX LogP: 4.16 | CX LogD: 1.49 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.63 | Np Likeness Score: -1.95 |
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):