| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4451081
Max Phase: Preclinical
Molecular Formula: C15H10F6N2O2
Molecular Weight: 364.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
Standard InChI: InChI=1S/C15H10F6N2O2/c16-14(17,18)7-3-8(15(19,20)21)5-10(4-7)23-13(25)11-6-9(22)1-2-12(11)24/h1-6,24H,22H2,(H,23,25)
Standard InChI Key: CSOAKIGNVUVCTA-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: 364.25 | Molecular Weight (Monoisotopic): 364.0646 | AlogP: 4.26 | #Rotatable Bonds: 2 |
| Polar Surface Area: 75.35 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.79 | CX Basic pKa: 3.81 | CX LogP: 3.69 | CX LogD: 3.67 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.42 | Np Likeness Score: -1.01 |
References
| 1. (2013) 2-hydroxyarylamide derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating cancer containing same as active ingredient, |
| 2. (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):