Compound Detail
CHEMBL438271
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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](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C(=O)N1CCC[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 | CHEMBL438271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTBHFKXUIQPWNG-IQMYXQEDSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1382.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Ki 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | IC50 | 4.75 | 4.75 | 18000.0 | 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 | = | 4.8 | nM | 8.32 | Inhibition of human Pin1 PPIase Activity by protease free PPIase assay | 16570909 |
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | IC50 | = | 18000.0 | nM | 4.75 | 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 | 2 |
Data from ChEMBL 36 via Core Engine