Compound Detail
CHEMBL4099729
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NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(C(=O)O)ccc2c2cnccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4099729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHMZAEJJGPHLBG-QDNWXXHKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
985.0
MW (Da)
0.13
ALogP
15
HBA
12
HBD
430.3
PSA (Ų)
0.03
QED
3
Ro5 Violations
33
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 10.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II subunit alpha CHEMBL3629 | Kd | 10.03 | 10.03 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II subunit alpha | Kd | = | 0.094 | nM | 10.03 | Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) ... | 28274673 |
| Casein kinase II subunit alpha | Kd | = | 0.09333 | nM | 10.03 | Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) ... | 28274673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28274673 | 10.1016/j.bmc.2017.02.055 | Casein kinase II subunit alpha | 2 |
Data from ChEMBL 36 via Core Engine