| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1975566
Max Phase: Preclinical
Molecular Formula: C20H16N4O3S2
Molecular Weight: 424.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1ccc(S(=O)(=O)/N=C2\C=C(SC3=NCN=N3)C(=O)c3ccccc32)cc1
Standard InChI: InChI=1S/C20H16N4O3S2/c1-2-13-7-9-14(10-8-13)29(26,27)24-17-11-18(28-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3/b24-17+
Standard InChI Key: SUZDWQUMCSJTCH-JJIBRWJFSA-N
Associated Targets(Human)
Cystic fibrosis transmembrane conductance regulator/Golgi-associated PDZ and coiled-coil motif-containing protein 34 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: 424.51 | Molecular Weight (Monoisotopic): 424.0664 | AlogP: 4.02 | #Rotatable Bonds: 4 |
| Polar Surface Area: 100.65 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.54 | CX Basic pKa: | CX LogP: 3.89 | CX LogD: 3.89 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.74 | Np Likeness Score: -0.92 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):