| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392773
Max Phase: Preclinical
Molecular Formula: C26H17F3N4O2S
Molecular Weight: 506.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(Nc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12)c1ccc(-c2cccnc2)cc1
Standard InChI: InChI=1S/C26H17F3N4O2S/c27-26(28,29)22-9-3-1-7-20(22)24-31-23-10-4-2-8-21(23)25(32-24)33-36(34,35)19-13-11-17(12-14-19)18-6-5-15-30-16-18/h1-16H,(H,31,32,33)
Standard InChI Key: BEABUFGBFVSBEG-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: 506.51 | Molecular Weight (Monoisotopic): 506.1024 | AlogP: 6.18 | #Rotatable Bonds: 5 |
| Polar Surface Area: 84.84 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 6.33 | CX Basic pKa: 4.68 | CX LogP: 6.10 | CX LogD: 5.46 |
| Aromatic Rings: 5 | Heavy Atoms: 36 | QED Weighted: 0.31 | Np Likeness Score: -1.42 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):