| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3182910
Max Phase: Preclinical
Molecular Formula: C16H15N3OS2
Molecular Weight: 329.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(c1cccs1)C1CCN(c2ncnc3sccc23)CC1
Standard InChI: InChI=1S/C16H15N3OS2/c20-14(13-2-1-8-21-13)11-3-6-19(7-4-11)15-12-5-9-22-16(12)18-10-17-15/h1-2,5,8-11H,3-4,6-7H2
Standard InChI Key: FDHVWDYMZSGXQN-UHFFFAOYSA-N
Associated Targets(Human)
COUP transcription factor 2 234 Activities
Associated Targets(non-human)
Alpha trans-inducing protein (VP16) 945 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 329.45 | Molecular Weight (Monoisotopic): 329.0657 | AlogP: 3.85 | #Rotatable Bonds: 3 |
| Polar Surface Area: 46.09 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.95 | CX LogP: 3.74 | CX LogD: 3.74 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.68 | Np Likeness Score: -2.11 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):