Compound Detail
CHEMBL5275279
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COC1C[C@H](C[C@@H](C)[C@@H]2CC(=O)C(C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]3CC[C@@H](C)[C@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CCC1OCCOCc1cn(CCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1
Basic Information
| ChEMBL ID | CHEMBL5275279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCSUEITWRRFFMN-WOWBMYPPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1426.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A CHEMBL1902 | EC50 | 9.57 | 9.57 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A | EC50 | = | 0.27 | nM | 9.57 | Induction of degradation of FKBP12 (unknown origin) | 36306471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36306471 | 10.1021/acs.jmedchem.2c01159 | Peptidyl-prolyl cis-trans isomerase FKBP1A | 1 |
Data from ChEMBL 36 via Core Engine