Compound Detail
CHEMBL1688203
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CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/c2ccc(CNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL1688203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOIXQCWFLSNDGX-LDXYLVKNSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1652.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.92
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase D CHEMBL1697657 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | Kd | 7.92 | 7.92 | 12.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase D CHEMBL1697657 | Kd | 7.0 | 7.0 | 101.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | Ki | 6.97 | 6.97 | 106.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A | Kd | = | 12.0 | nM | 7.92 | Inhibition of cyclosporin binding to Cyp18 by fluorescence polarization competit... | 24900244 |
| Peptidyl-prolyl cis-trans isomerase D | Ki | = | 12.0 | nM | 7.92 | Inhibition of Cyclophilin 40 PPIase activity | 24900244 |
| Peptidyl-prolyl cis-trans isomerase D | Kd | = | 101.0 | nM | 7.0 | Inhibition of cyclosporin binding to Cyp40 by fluorescence polarization competit... | 24900244 |
| Peptidyl-prolyl cis-trans isomerase A | Ki | = | 106.0 | nM | 6.97 | Inhibition of Cyclophilin 18 PPIase activity | 24900244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900244 | 10.1021/ml1001272 | Peptidyl-prolyl cis-trans isomerase A | 2 |
| 24900244 | 10.1021/ml1001272 | Peptidyl-prolyl cis-trans isomerase D | 2 |
Data from ChEMBL 36 via Core Engine