Compound Detail
CHEMBL436718
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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)[C@H](CO)NC(=O)CCNCCNS(=O)(=O)c1cccc2cnccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL436718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHKZENPNLYAVCT-CXWHUAPYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1347.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) | IC50 | = | 3.0 | nM | 8.52 | Inhibition of cAMP-dependent protein kinase (PKA). | 1992155 |
| cAMP-dependent protein kinase (PKA) | Ki | = | 4.0 | nM | 8.4 | Displacement of ATP from protein kinase A (PKA) | 1992155 |
| Protein kinase C (PKC) | Ki | = | 100.0 | nM | 7.0 | Displacement of ATP from protein kinase C (PKC) | 1992155 |
| Protein kinase C (PKC) | IC50 | = | 300.0 | nM | 6.52 | Inhibition of protein kinase C (PKC) | 1992155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992155 | 10.1021/jm00105a012 | Protein kinase C (PKC) | 2 |
| 1992155 | 10.1021/jm00105a012 | cAMP-dependent protein kinase (PKA) | 2 |
Data from ChEMBL 36 via Core Engine