Compound Detail
CHEMBL524516
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
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)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL524516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEQYJEYXWDLUAC-ZSOGZIGUSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1259.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.87
Kd 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Kd | 9.3 | 9.3 | 0.5 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | IC50 | 7.87 | 7.87 | 13.4 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 7.25 | 7.25 | 56.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha | Kd | = | 0.5 | nM | 9.3 | Binding affinity to PKA catalytic subunit alpha by fluorescence polarization ass... | 19143565 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 13.4 | nM | 7.87 | Inhibition of PKA catalytic subunit alpha using 100 uM ATP and 30 uM TAMRA-kempt... | 19143565 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 56.6 | nM | 7.25 | Inhibition of PKBgamma using 100 uM ATP and 30 uM TAMRA-kemptide substrate by fl... | 19143565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19143565 | 10.1021/jm800797n | cAMP-dependent protein kinase catalytic subunit alpha | 2 |
| 19143565 | 10.1021/jm800797n | Rho-associated protein kinase 2 | 1 |
| 19143565 | 10.1021/jm800797n | RAC-gamma serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine