| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093145
Max Phase: Preclinical
Molecular Formula: C25H28N4O5S2
Molecular Weight: 528.66
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COCCN(C)c1cccc(C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4scnc4c2)C3)c1
Standard InChI: InChI=1S/C25H28N4O5S2/c1-27(8-9-34-2)20-5-3-4-17(10-20)24(30)25(31)28-12-18-14-29(15-19(18)13-28)36(32,33)21-6-7-23-22(11-21)26-16-35-23/h3-7,10-11,16,24,30H,8-9,12-15H2,1-2H3
Standard InChI Key: OOCXQEDAHCDGFC-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: 528.66 | Molecular Weight (Monoisotopic): 528.1501 | AlogP: 2.26 | #Rotatable Bonds: 8 |
| Polar Surface Area: 103.28 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.51 | CX Basic pKa: 2.95 | CX LogP: 1.08 | CX LogD: 1.08 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.45 | Np Likeness Score: -1.46 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):