| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094485
Max Phase: Preclinical
Molecular Formula: C23H22N2O3
Molecular Weight: 374.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: OC(c1ccccc1)c1cc2c(cn1)CN(Cc1ccc3c(c1)OCCO3)C2
Standard InChI: InChI=1S/C23H22N2O3/c26-23(17-4-2-1-3-5-17)20-11-18-14-25(15-19(18)12-24-20)13-16-6-7-21-22(10-16)28-9-8-27-21/h1-7,10-12,23,26H,8-9,13-15H2
Standard InChI Key: LGWCRINZAKHQKI-UHFFFAOYSA-N
Associated Targets(Human)
Probable ubiquitin carboxyl-terminal hydrolase FAF-X 500 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 374.44 | Molecular Weight (Monoisotopic): 374.1630 | AlogP: 3.45 | #Rotatable Bonds: 4 |
| Polar Surface Area: 54.82 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.05 | CX Basic pKa: 5.48 | CX LogP: 2.94 | CX LogD: 2.93 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.76 | Np Likeness Score: -0.59 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):