| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093097
Max Phase: Preclinical
Molecular Formula: C24H27N3O5S
Molecular Weight: 469.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1
Standard InChI: InChI=1S/C24H27N3O5S/c1-25-12-21(17-5-3-2-4-6-17)24(28)26-13-18-15-27(16-19(18)14-26)33(29,30)20-7-8-22-23(11-20)32-10-9-31-22/h2-8,11,21,25H,9-10,12-16H2,1H3
Standard InChI Key: PAEZPZYKGQYZRL-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: 469.56 | Molecular Weight (Monoisotopic): 469.1671 | AlogP: 1.60 | #Rotatable Bonds: 6 |
| Polar Surface Area: 88.18 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.36 | CX LogP: 0.70 | CX LogD: -1.25 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.65 | Np Likeness Score: -0.85 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):