| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269283
Max Phase: Preclinical
Molecular Formula: C25H23N3O5S
Molecular Weight: 477.54
Associated Items:
Representations
Canonical SMILES: COc1cc(-n2cc(CS(=O)(=O)C3c4ccccc4-c4ccccc43)nn2)cc(OC)c1OC
Standard InChI: InChI=1S/C25H23N3O5S/c1-31-22-12-17(13-23(32-2)24(22)33-3)28-14-16(26-27-28)15-34(29,30)25-20-10-6-4-8-18(20)19-9-5-7-11-21(19)25/h4-14,25H,15H2,1-3H3
Standard InChI Key: SUTHYODOZUVBFD-UHFFFAOYSA-N
Associated Targets(non-human)
Enoyl-[acyl-carrier-protein] reductase 1329 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 477.54 | Molecular Weight (Monoisotopic): 477.1358 | AlogP: 3.98 | #Rotatable Bonds: 7 |
| Polar Surface Area: 92.54 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.68 | CX LogD: 3.68 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.40 | Np Likeness Score: -0.81 |
References
| 1. Kumar S, Sharma B, Mehra V, Kumar V.. (2021) Recent accomplishments on the synthetic/biological facets of pharmacologically active 1H-1,2,3-triazoles., 212 [PMID:33388593] [10.1016/j.ejmech.2020.113069] |
Source
Source(1):