Compound Detail
CHEMBL2424822
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CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(C(=O)O)cc3[nH]2)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 | CHEMBL2424822 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JYEAZWRDYOTZIN-SFIJKNBRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1322.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | Ki | 7.97 | 7.97 | 10.7 | 1 |
| Peptidyl-prolyl cis-trans isomerase B CHEMBL2075 | Ki | 7.45 | 7.45 | 35.2 | 1 |
| Peptidyl-prolyl cis-trans isomerase C CHEMBL2424505 | Ki | 6.93 | 6.93 | 118.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A | Ki | = | 10.7 | nM | 7.97 | Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-n... | 23964991 |
| Peptidyl-prolyl cis-trans isomerase B | Ki | = | 35.2 | nM | 7.45 | Inhibition of CypB PPIase activity (unknown origin) | 23964991 |
| Peptidyl-prolyl cis-trans isomerase C | Ki | = | 118.0 | nM | 6.93 | Inhibition of CypC PPIase activity (unknown origin) | 23964991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23964991 | 10.1021/jm4007577 | Mus musculus | 12 |
| 23964991 | 10.1021/jm4007577 | Peptidyl-prolyl cis-trans isomerase A | 7 |
| 23964991 | 10.1021/jm4007577 | Unchecked | 6 |
| 23964991 | 10.1021/jm4007577 | ADMET | 1 |
| 23964991 | 10.1021/jm4007577 | Peptidyl-prolyl cis-trans isomerase C | 1 |
| 23964991 | 10.1021/jm4007577 | Peptidyl-prolyl cis-trans isomerase B | 1 |
Data from ChEMBL 36 via Core Engine