Compound Detail
CHEMBL5985508
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C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H]([C@H](C)CN2CCN(CC)CC2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL5985508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKRCAFQEQPRWFR-JCOMYILCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1314.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.3 | 9.3 | 0.5 | 1 |
| Peptidyl-prolyl cis-trans isomerase B CHEMBL2075 | Kd | 9.1 | 9.1 | 0.8 | 1 |
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | Kd | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.5 | nM | 9.3 | Surface Plasmon Resonance (SPR) Assay: Binding of inhibitors to expressed cyclop... | - |
| Peptidyl-prolyl cis-trans isomerase B | Kd | = | 0.8 | nM | 9.1 | Surface Plasmon Resonance (SPR) Assay: Binding of inhibitors to expressed cyclop... | - |
| Peptidyl-prolyl cis-trans isomerase A | Kd | = | 0.9 | nM | 9.05 | Surface Plasmon Resonance (SPR) Assay: Binding of inhibitors to expressed cyclop... | - |
Data from ChEMBL 36 via Core Engine