| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3188978
Max Phase: Preclinical
Molecular Formula: C19H26N4O5S
Molecular Weight: 422.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)NCC(=O)OC)CC3)ccc21
Standard InChI: InChI=1S/C19H26N4O5S/c1-3-21-10-7-15-13-16(5-6-17(15)21)29(26,27)23-9-4-8-22(11-12-23)19(25)20-14-18(24)28-2/h5-7,10,13H,3-4,8-9,11-12,14H2,1-2H3,(H,20,25)
Standard InChI Key: JQGVPXZSNOZPLJ-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: 422.51 | Molecular Weight (Monoisotopic): 422.1624 | AlogP: 1.24 | #Rotatable Bonds: 5 |
| Polar Surface Area: 100.95 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.35 | CX LogD: 0.35 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.73 | Np Likeness Score: -2.15 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):