Compound Detail
CHEMBL2023714
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N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2023714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWZCDSLYZDTWQH-JCUPRAGWSA-N |
6
Targets
14
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1301.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.61
Kd 5 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.28 | 7.645 | 0.5 | 2 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.61 | 8.61 | 2.5 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.26 | 7.4267 | 5.5 | 3 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
| cGMP-dependent protein kinase 1 CHEMBL4273 | Kd | 7.89 | 7.89 | 13.0 | 1 |
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | Kd | 7.58 | 7.58 | 26.0 | 1 |
| cGMP-dependent protein kinase 1 CHEMBL4273 | IC50 | 7.38 | 7.38 | 41.7 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | Kd | 7.26 | 7.26 | 55.0 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 7.14 | 7.14 | 72.4 | 1 |
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | IC50 | 7.09 | 7.09 | 81.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22521647 | 10.1016/j.bmcl.2012.03.101 | Unchecked | 6 |
| 22521647 | 10.1016/j.bmcl.2012.03.101 | Rho-associated protein kinase 2 | 4 |
| 22521647 | 10.1016/j.bmcl.2012.03.101 | RAC-gamma serine/threonine-protein kinase | 2 |
| 22521647 | 10.1016/j.bmcl.2012.03.101 | Ribosomal protein S6 kinase alpha-5 | 2 |
| 22521647 | 10.1016/j.bmcl.2012.03.101 | Ribosomal protein S6 kinase beta-1 | 2 |
| 22521647 | 10.1016/j.bmcl.2012.03.101 | cGMP-dependent protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine