| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094918
Max Phase: Preclinical
Molecular Formula: C26H29N3O7S
Molecular Weight: 527.60
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(C(O)c1cccc(N2CCOCC2)c1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2
Standard InChI: InChI=1S/C26H29N3O7S/c30-25(18-2-1-3-21(12-18)27-6-8-34-9-7-27)26(31)28-14-19-16-29(17-20(19)15-28)37(32,33)22-4-5-23-24(13-22)36-11-10-35-23/h1-5,12-13,25,30H,6-11,14-17H2
Standard InChI Key: DCIBXLDCOTWJEH-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: 527.60 | Molecular Weight (Monoisotopic): 527.1726 | AlogP: 1.17 | #Rotatable Bonds: 5 |
| Polar Surface Area: 108.85 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.50 | CX Basic pKa: 1.03 | CX LogP: 0.28 | CX LogD: 0.28 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.58 | Np Likeness Score: -1.13 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):