Compound Detail
CHEMBL441398
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CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@H](C)OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL441398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTUOLCYCLNKZCZ-WVFJPOPASA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1376.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Ki 1 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | Ki | 6.74 | 6.74 | 183.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Ki | = | 183.0 | nM | 6.74 | Inhibition of human Pin1 PPIase Activity by protease free PPIase assay | 16570909 |
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human Pin1 PPIase Activity by protease free PPIase assay | 16570909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16570909 | 10.1021/jm060036n | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 12 |
| 16570909 | 10.1021/jm060036n | HeLa | 1 |
Data from ChEMBL 36 via Core Engine