| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267214
Max Phase: Preclinical
Molecular Formula: C17H11F3N2O2
Molecular Weight: 332.28
Associated Items:
Representations
Canonical SMILES: O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(C(F)(F)F)c1
Standard InChI: InChI=1S/C17H11F3N2O2/c18-17(19,20)12-6-4-5-11(9-12)10-14-15(23)21-22(16(14)24)13-7-2-1-3-8-13/h1-10H,(H,21,23)/b14-10-
Standard InChI Key: ZMYVSOZETXJCRI-UVTDQMKNSA-N
Associated Targets(Human)
HEK293 82097 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 332.28 | Molecular Weight (Monoisotopic): 332.0773 | AlogP: 3.17 | #Rotatable Bonds: 2 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.80 | CX Basic pKa: | CX LogP: 3.31 | CX LogD: 2.78 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.68 | Np Likeness Score: -1.46 |
References
| 1. Goeckeler-Fried JL, Aldrin Denny R, Joshi D, Hill C, Larsen MB, Chiang AN, Frizzell RA, Wipf P, Sorscher EJ, Brodsky JL.. (2021) Improved correction of F508del-CFTR biogenesis with a folding facilitator and an inhibitor of protein ubiquitination., 48 [PMID:34246753] [10.1016/j.bmcl.2021.128243] |
Source
Source(1):