Compound Detail
CHEMBL268790
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NCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C1CCC(NC(=O)C2CCC(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)CC2)CC1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL268790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPSCZNNRIYNTRP-BEAJRNAESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1283.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myosin light chain kinase, smooth muscle CHEMBL3062 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myosin light chain kinase, smooth muscle | IC50 | = | 110.0 | nM | 6.96 | Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) | 10072688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072688 | 10.1021/jm980573a | Myosin light chain kinase, smooth muscle | 1 |
| 10072688 | 10.1021/jm980573a | CaM kinase II | 1 |
| 10072688 | 10.1021/jm980573a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine