Compound Detail
CHEMBL150062
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COc1cc(C(=O)C(=O)N2CCCCC2C(=O)OCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL150062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHFDRUNMTYYHLY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
4.81
ALogP
8
HBA
0
HBD
100.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A CHEMBL1902 | Ki | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A | Ki | = | 18.0 | nM | 7.75 | Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase... | 9857082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857082 | 10.1021/jm980307x | Peptidyl-prolyl cis-trans isomerase FKBP1A | 1 |
| 9857082 | 10.1021/jm980307x | Gallus gallus | 1 |
Data from ChEMBL 36 via Core Engine