Compound Detail
CHEMBL56278
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COC[C@H]1O[C@@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)OC/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)C[C@@H]1OC
Basic Information
| ChEMBL ID | CHEMBL56278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIDVPYVEQGDGOF-AKJLYKBDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
1.38
ALogP
10
HBA
2
HBD
141.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A CHEMBL1902 | Kd | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A | Kd | = | 10.0 | nM | 8.0 | The compound was evaluated for its affinity to the binding domain of immunophili... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80992-6 | Peptidyl-prolyl cis-trans isomerase FKBP1A | 1 |
Data from ChEMBL 36 via Core Engine