| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093412
Max Phase: Preclinical
Molecular Formula: C27H32N4O5S2
Molecular Weight: 556.71
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN1CCN(c2cccc(C(O)C(=S)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)c2)CC1
Standard InChI: InChI=1S/C27H32N4O5S2/c1-28-7-9-29(10-8-28)22-4-2-3-19(13-22)26(32)27(37)30-15-20-17-31(18-21(20)16-30)38(33,34)23-5-6-24-25(14-23)36-12-11-35-24/h2-6,13-14,26,32H,7-12,15-18H2,1H3
Standard InChI Key: BXXZJVZPFHVSIV-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: 556.71 | Molecular Weight (Monoisotopic): 556.1814 | AlogP: 1.89 | #Rotatable Bonds: 5 |
| Polar Surface Area: 85.79 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.40 | CX Basic pKa: 7.89 | CX LogP: 1.24 | CX LogD: 0.63 |
| Aromatic Rings: 2 | Heavy Atoms: 38 | QED Weighted: 0.44 | Np Likeness Score: -1.13 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
| 2. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):