| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4465575
Max Phase: Preclinical
Molecular Formula: C24H24N2S2
Molecular Weight: 404.60
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1csc(-c2ccc(CNCCNCc3ccc(-c4cccs4)cc3)cc2)c1
Standard InChI: InChI=1S/C24H24N2S2/c1-3-23(27-15-1)21-9-5-19(6-10-21)17-25-13-14-26-18-20-7-11-22(12-8-20)24-4-2-16-28-24/h1-12,15-16,25-26H,13-14,17-18H2
Standard InChI Key: DSSWSWXNACKDDF-UHFFFAOYSA-N
Associated Targets(Human)
U-937 7138 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 404.60 | Molecular Weight (Monoisotopic): 404.1381 | AlogP: 6.02 | #Rotatable Bonds: 9 |
| Polar Surface Area: 24.06 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.84 | CX LogP: 5.74 | CX LogD: 4.28 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.33 | Np Likeness Score: -0.84 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):