| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1548677
Max Phase: Preclinical
Molecular Formula: C13H11N3O2S2
Molecular Weight: 305.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(NCc1ccccc1)c1cccc2nsnc12
Standard InChI: InChI=1S/C13H11N3O2S2/c17-20(18,14-9-10-5-2-1-3-6-10)12-8-4-7-11-13(12)16-19-15-11/h1-8,14H,9H2
Standard InChI Key: HCHFGTNGNXOFAA-UHFFFAOYSA-N
Associated Targets(Human)
Muscleblind-like protein 1 34431 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: 305.38 | Molecular Weight (Monoisotopic): 305.0293 | AlogP: 2.17 | #Rotatable Bonds: 4 |
| Polar Surface Area: 71.95 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.01 | CX Basic pKa: | CX LogP: 2.67 | CX LogD: 2.66 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.80 | Np Likeness Score: -2.21 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):