| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5185124
Max Phase: Preclinical
Molecular Formula: C22H18F3N5O
Molecular Weight: 425.41
Associated Items:
Representations
Canonical SMILES: C#CCCn1cc(-c2cccc3c2ccn3C(=O)C2CCCN2C#N)c(C(F)(F)F)n1
Standard InChI: InChI=1S/C22H18F3N5O/c1-2-3-11-29-13-17(20(27-29)22(23,24)25)15-6-4-7-18-16(15)9-12-30(18)21(31)19-8-5-10-28(19)14-26/h1,4,6-7,9,12-13,19H,3,5,8,10-11H2
Standard InChI Key: ZQBSDVXCDQHXJS-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase isozyme L1 107 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 425.41 | Molecular Weight (Monoisotopic): 425.1463 | AlogP: 4.13 | #Rotatable Bonds: 4 |
| Polar Surface Area: 66.85 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.74 | CX LogD: 3.74 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.47 | Np Likeness Score: -1.19 |
References
| 1. Hafez N, Modather El-Awadly Z, Arafa RK.. (2022) UCH-L3 structure and function: Insights about a promising drug target., 227 [PMID:34752952] [10.1016/j.ejmech.2021.113970] |
Source
Source(1):