| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093431
Max Phase: Preclinical
Molecular Formula: C25H27N3O6S
Molecular Weight: 497.57
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(C(OC1CNC1)c1ccccc1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2
Standard InChI: InChI=1S/C25H27N3O6S/c29-25(24(34-20-11-26-12-20)17-4-2-1-3-5-17)27-13-18-15-28(16-19(18)14-27)35(30,31)21-6-7-22-23(10-21)33-9-8-32-22/h1-7,10,20,24,26H,8-9,11-16H2
Standard InChI Key: PLWHSFFYGXOESL-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: 497.57 | Molecular Weight (Monoisotopic): 497.1621 | AlogP: 1.33 | #Rotatable Bonds: 6 |
| Polar Surface Area: 97.41 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.47 | CX LogP: 0.56 | CX LogD: -0.54 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.60 | Np Likeness Score: -0.81 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
| 2. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):