| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3109148
Max Phase: Preclinical
Molecular Formula: C28H26N4O4S
Molecular Weight: 514.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(NC(=O)CC2SC(N3N=C(c4ccccc4)CC3c3ccc(OC)cc3)=NC2=O)cc1
Standard InChI: InChI=1S/C28H26N4O4S/c1-35-21-12-8-19(9-13-21)24-16-23(18-6-4-3-5-7-18)31-32(24)28-30-27(34)25(37-28)17-26(33)29-20-10-14-22(36-2)15-11-20/h3-15,24-25H,16-17H2,1-2H3,(H,29,33)
Standard InChI Key: ZPYSEVNGMSQNMO-UHFFFAOYSA-N
Associated Targets(non-human)
Tacaribe virus 95 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: 514.61 | Molecular Weight (Monoisotopic): 514.1675 | AlogP: 4.88 | #Rotatable Bonds: 7 |
| Polar Surface Area: 92.59 | Molecular Species: ACID | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.65 | CX Basic pKa: 1.75 | CX LogP: 4.26 | CX LogD: 2.26 |
| Aromatic Rings: 3 | Heavy Atoms: 37 | QED Weighted: 0.48 | Np Likeness Score: -1.41 |
References
| 1. Tripathi AC, Gupta SJ, Fatima GN, Sonar PK, Verma A, Saraf SK.. (2014) 4-Thiazolidinones: the advances continue…., 72 [PMID:24355348] [10.1016/j.ejmech.2013.11.017] |
Source
Source(1):