Compound Detail
CHEMBL4077554
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NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCOc1nc2cc(C(=O)O)ccc2c2cnccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4077554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKEWCXHKVREYAK-ZBZKAUHLSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1215.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 10.5
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Kd | 10.5 | 10.465 | 0.0 | 2 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Kd | = | 0.03162 | nM | 10.5 | Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) ... | 28274673 |
| Casein kinase II subunit alpha | Kd | = | 0.037 | nM | 10.43 | Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) ... | 28274673 |
| Casein kinase II subunit alpha | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CK2alpha (unknown origin) (1 to 335 residues) using 5-TAMRA-RADDSD... | 28274673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28274673 | 10.1016/j.bmc.2017.02.055 | Unchecked | 4 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Casein kinase II subunit alpha | 3 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Mitogen-activated protein kinase kinase kinase 1 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Tyrosine-protein kinase ABL1 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | MAP kinase-activated protein kinase 2 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Serine/threonine-protein kinase 16 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Tau-tubulin kinase 2 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Platelet-derived growth factor receptor alpha | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Tyrosine-protein kinase ZAP-70 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Ephrin type-A receptor 4 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Mitogen-activated protein kinase 3 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Serine/threonine-protein kinase PAK 4 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Mitogen-activated protein kinase 12 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Mitogen-activated protein kinase 11 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | CDK9/cyclin T1 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Mitogen-activated protein kinase 13 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Serine/threonine-protein kinase PAK 6 | 1 |
| 28274673 | 10.1016/j.bmc.2017.02.055 | Serine/threonine-protein kinase OSR1 | 1 |
Data from ChEMBL 36 via Core Engine