| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093527
Max Phase: Preclinical
Molecular Formula: C26H30FN3O5S
Molecular Weight: 515.61
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(C)c(F)cc1C
Standard InChI: InChI=1S/C26H30FN3O5S/c1-16-9-23(27)17(2)8-21(16)22(11-28-3)26(31)29-12-18-14-30(15-19(18)13-29)36(32,33)20-4-5-24-25(10-20)35-7-6-34-24/h4-5,8-10,22,28H,6-7,11-15H2,1-3H3
Standard InChI Key: DXUFDRBSRRXMPH-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: 515.61 | Molecular Weight (Monoisotopic): 515.1890 | AlogP: 2.36 | #Rotatable Bonds: 6 |
| Polar Surface Area: 88.18 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.36 | CX LogP: 1.87 | CX LogD: -0.08 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.59 | Np Likeness Score: -1.01 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
| 2. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):