| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2062743
Max Phase: Preclinical
Molecular Formula: C17H22N2O2S2
Molecular Weight: 350.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN1C(=O)/C(=C/c2ccc(OCCCN(C)C)cc2)SC1=S
Standard InChI: InChI=1S/C17H22N2O2S2/c1-4-19-16(20)15(23-17(19)22)12-13-6-8-14(9-7-13)21-11-5-10-18(2)3/h6-9,12H,4-5,10-11H2,1-3H3/b15-12-
Standard InChI Key: IJWHNRNMKOWVPY-QINSGFPZSA-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: 350.51 | Molecular Weight (Monoisotopic): 350.1123 | AlogP: 3.24 | #Rotatable Bonds: 7 |
| Polar Surface Area: 32.78 | Molecular Species: BASE | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.26 | CX LogP: 3.24 | CX LogD: 1.39 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.43 | Np Likeness Score: -1.78 |
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):