Compound Detail
CHEMBL5954044
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CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2CCCO)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)[C@@H](C)N(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL5954044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQWBVYSVPDFJBS-FBKQDPHJSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1300.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.42
Ki 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.42 | 6.42 | 377.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A | Ki | = | 5.1 | nM | 8.29 | Protease-Free PPIase Assay: The protease-free PPIase assay measures the rate of ... | - |
| Unchecked | IC50 | = | 377.0 | nM | 6.42 | Calcineurin Phosphatase (CaN) Assay: Enzo Life Sciences CaN Assay Kit: BML-AK804... | - |
Data from ChEMBL 36 via Core Engine