Compound Detail
CHEMBL4177303
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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)CCCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C(=O)O)cc2)s1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4177303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOUUYEIPBYLNSM-UEWBEXHJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
1252.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Kd | 9.24 | 9.24 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Kd | = | 0.58 | nM | 9.24 | Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 re... | 30217463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30217463 | 10.1016/j.bmc.2018.09.003 | Casein kinase II subunit alpha | 4 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | 3-phosphoinositide-dependent protein kinase 1 | 2 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Mitogen-activated protein kinase 8 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Unchecked | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Tyrosine-protein kinase JAK3 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Protein kinase C alpha type | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Serine/threonine-protein kinase PAK 4 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Myosin light chain kinase, smooth muscle | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Dual specificity protein kinase TTK | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Rho-associated protein kinase 2 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | AMP-activated protein kinase, AMPK | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Ephrin type-A receptor 2 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Mitogen-activated protein kinase kinase kinase 11 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Tyrosine-protein kinase BTK | 1 |
| 30217463 | 10.1016/j.bmc.2018.09.003 | Serine/threonine-protein kinase Nek6 | 1 |
Data from ChEMBL 36 via Core Engine