| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4447584
Max Phase: Preclinical
Molecular Formula: C10H9ClN2O2S
Molecular Weight: 256.71
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(NC1=NCCS1)c1cc(Cl)ccc1O
Standard InChI: InChI=1S/C10H9ClN2O2S/c11-6-1-2-8(14)7(5-6)9(15)13-10-12-3-4-16-10/h1-2,5,14H,3-4H2,(H,12,13,15)
Standard InChI Key: URCZGWDGBGDRQP-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: 256.71 | Molecular Weight (Monoisotopic): 256.0073 | AlogP: 1.88 | #Rotatable Bonds: 1 |
| Polar Surface Area: 61.69 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.58 | CX Basic pKa: 4.48 | CX LogP: 2.94 | CX LogD: 2.72 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.81 | Np Likeness Score: -1.47 |
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):