| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4525481
Max Phase: Preclinical
Molecular Formula: C19H15ClN2O2S
Molecular Weight: 370.86
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccccc1Cl)C(Sc1cccc[n+]1[O-])c1ccccc1
Standard InChI: InChI=1S/C19H15ClN2O2S/c20-15-10-4-5-11-16(15)21-19(23)18(14-8-2-1-3-9-14)25-17-12-6-7-13-22(17)24/h1-13,18H,(H,21,23)
Standard InChI Key: WGQKFXUHJQJPEO-UHFFFAOYSA-N
Associated Targets(Human)
START domain-containing protein 10 9 Activities
Phosphatidylcholine transfer protein 43 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: Unknown | 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 |
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Properties
| Molecular Weight: 370.86 | Molecular Weight (Monoisotopic): 370.0543 | AlogP: 4.45 | #Rotatable Bonds: 5 |
| Polar Surface Area: 56.04 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.10 | CX Basic pKa: 0.52 | CX LogP: 3.87 | CX LogD: 3.87 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.41 | Np Likeness Score: -1.37 |
References
| 1. (2017) Phosphatidylcholine transfer protein inhibitors, |
Source
Source(1):