| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392691
Max Phase: Preclinical
Molecular Formula: C27H16F6N4O2S
Molecular Weight: 574.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(Nc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12)c1ccc(-c2ccnc(C(F)(F)F)c2)cc1
Standard InChI: InChI=1S/C27H16F6N4O2S/c28-26(29,30)21-7-3-1-5-19(21)24-35-22-8-4-2-6-20(22)25(36-24)37-40(38,39)18-11-9-16(10-12-18)17-13-14-34-23(15-17)27(31,32)33/h1-15H,(H,35,36,37)
Standard InChI Key: DTDJTRADYWEVKQ-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: 574.51 | Molecular Weight (Monoisotopic): 574.0898 | AlogP: 7.20 | #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: 6.34 | CX Basic pKa: 2.31 | CX LogP: 7.54 | CX LogD: 6.74 |
| Aromatic Rings: 5 | Heavy Atoms: 40 | QED Weighted: 0.22 | Np Likeness Score: -1.17 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):