| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4575168
Max Phase: Preclinical
Molecular Formula: C12H11ClN2O2S
Molecular Weight: 282.75
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(NC(=O)c2cc(Cl)ccc2O)sc1C
Standard InChI: InChI=1S/C12H11ClN2O2S/c1-6-7(2)18-12(14-6)15-11(17)9-5-8(13)3-4-10(9)16/h3-5,16H,1-2H3,(H,14,15,17)
Standard InChI Key: BXQYWEAYUMLIJZ-UHFFFAOYSA-N
Associated Targets(Human)
Transmembrane protease serine 4 563 Activities
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 |
|---|
Properties
| Molecular Weight: 282.75 | Molecular Weight (Monoisotopic): 282.0230 | AlogP: 3.37 | #Rotatable Bonds: 2 |
| Polar Surface Area: 62.22 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.37 | CX Basic pKa: 0.32 | CX LogP: 3.49 | CX LogD: 3.17 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.89 | Np Likeness Score: -2.08 |
References
| 1. (2014) 2-hydroxyarylamide derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating cancer containing same as active ingredient, |
Source
Source(1):