| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3189000
Max Phase: Preclinical
Molecular Formula: C19H16F3N3O4
Molecular Weight: 407.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O
Standard InChI: InChI=1S/C19H16F3N3O4/c1-24-11-17(27)25(15-5-3-2-4-14(15)18(24)28)10-16(26)23-12-6-8-13(9-7-12)29-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)
Standard InChI Key: GATSTFCGEHAUCV-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 1 22556 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 407.35 | Molecular Weight (Monoisotopic): 407.1093 | AlogP: 2.64 | #Rotatable Bonds: 4 |
| Polar Surface Area: 78.95 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.27 | CX Basic pKa: | CX LogP: 2.42 | CX LogD: 2.42 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.85 | Np Likeness Score: -1.46 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):