| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392698
Max Phase: Preclinical
Molecular Formula: C28H22F3N5O2S
Molecular Weight: 549.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)Nc1ccc(-c2nc(NCc3ccc(-c4ccnc(C(F)(F)F)c4)cc3)c3ccccc3n2)cc1
Standard InChI: InChI=1S/C28H22F3N5O2S/c1-39(37,38)36-22-12-10-20(11-13-22)26-34-24-5-3-2-4-23(24)27(35-26)33-17-18-6-8-19(9-7-18)21-14-15-32-25(16-21)28(29,30)31/h2-16,36H,17H2,1H3,(H,33,34,35)
Standard InChI Key: AFPIAAOACZFUQX-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: 549.58 | Molecular Weight (Monoisotopic): 549.1446 | AlogP: 6.36 | #Rotatable Bonds: 7 |
| Polar Surface Area: 96.87 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 8.92 | CX Basic pKa: 5.18 | CX LogP: 5.95 | CX LogD: 5.93 |
| Aromatic Rings: 5 | Heavy Atoms: 39 | QED Weighted: 0.25 | Np Likeness Score: -1.42 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):