Compound Detail
CHEMBL108236
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CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OC(CCc1ccc2c(c1)OCO2)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL108236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUENWFFFPYHGOF-WTQRLHSKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
5.02
ALogP
6
HBA
0
HBD
82.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 9.0 | nM | 8.05 | Inhibition constant against peptidyl prolyl isomerase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80135-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine