Compound Detail
CHEMBL5821248
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C/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(C)=O)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](NC(=O)[C@@H](NC)[C@H](C)COCC(=O)N1CCNCC1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5821248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZINWLWRETZUIDE-UFPMSENESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1360.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.4 | 9.4 | 0.4 | 1 |
| Peptidyl-prolyl cis-trans isomerase B CHEMBL2075 | Kd | 9.15 | 9.15 | 0.7 | 1 |
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | Kd | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.4 | nM | 9.4 | Surface Plasmon Resonance (SPR) Assay: Binding of inhibitors to expressed cyclop... | - |
| Peptidyl-prolyl cis-trans isomerase B | Kd | = | 0.7 | nM | 9.15 | Surface Plasmon Resonance (SPR) Assay: Binding of inhibitors to expressed cyclop... | - |
| Peptidyl-prolyl cis-trans isomerase A | Kd | = | 1.0 | nM | 9.0 | Surface Plasmon Resonance (SPR) Assay: Binding of inhibitors to expressed cyclop... | - |
Data from ChEMBL 36 via Core Engine