| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3188937
Max Phase: Preclinical
Molecular Formula: C29H22F3N3
Molecular Weight: 469.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(Nc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12)c1ccc(-c2ccccc2)cc1
Standard InChI: InChI=1S/C29H22F3N3/c1-19(20-15-17-22(18-16-20)21-9-3-2-4-10-21)33-28-24-12-6-8-14-26(24)34-27(35-28)23-11-5-7-13-25(23)29(30,31)32/h2-19H,1H3,(H,33,34,35)
Standard InChI Key: QDEBEMZDXMDKON-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: 469.51 | Molecular Weight (Monoisotopic): 469.1766 | AlogP: 8.16 | #Rotatable Bonds: 5 |
| Polar Surface Area: 37.81 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 4.38 | CX LogP: 8.64 | CX LogD: 8.64 |
| Aromatic Rings: 5 | Heavy Atoms: 35 | QED Weighted: 0.28 | Np Likeness Score: -1.10 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):