Compound Detail
CHEMBL4067866
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
O=C(O)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCn1c(=O)c2ccncc2c2ccc(C(=O)O)cc21)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4067866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLAHDVICUJXGHX-FKBYEOEOSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
713.6
MW (Da)
0.16
ALogP
11
HBA
8
HBD
308.7
PSA (Ų)
0.06
QED
3
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.23
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Kd | 8.23 | 8.23 | 5.9 | 2 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Kd | = | 5.89 | nM | 8.23 | Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) ... | 28274673 |
| Casein kinase II subunit alpha | Kd | = | 5.888 | nM | 8.23 | Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) ... | 28274673 |
| Casein kinase II subunit alpha | IC50 | = | 300.0 | nM | 6.52 | 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 | Casein kinase II subunit alpha | 3 |
Data from ChEMBL 36 via Core Engine