| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093019
Max Phase: Preclinical
Molecular Formula: C25H22N4O4S
Molecular Weight: 474.54
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc4c3CNC4)cc2C1
Standard InChI: InChI=1S/C25H22N4O4S/c30-24(21-3-1-2-17-11-26-13-22(17)21)23-10-18-14-29(15-19(18)12-28-23)34(31,32)20-6-4-16(5-7-20)25-27-8-9-33-25/h1-10,12,24,26,30H,11,13-15H2
Standard InChI Key: ZPQCAKKOQHOQQY-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: 474.54 | Molecular Weight (Monoisotopic): 474.1362 | AlogP: 3.13 | #Rotatable Bonds: 5 |
| Polar Surface Area: 108.56 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.97 | CX Basic pKa: 8.46 | CX LogP: 1.81 | CX LogD: 0.72 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.46 | Np Likeness Score: -0.76 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):