Compound Detail
CHEMBL3416206
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COc1ccc(-c2nc3c(sc4nc(C(F)F)cc(C)c43)c(=O)[nH]2)cc1Cn1cc([N+](=O)[O-])cn1
Basic Information
| ChEMBL ID | CHEMBL3416206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYCMOZHZLJZKKT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
4.61
ALogP
9
HBA
1
HBD
128.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of CK2 kinase (unknown origin) using RRRDDDSDDD as substrate after 10... | 25912672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25912672 | 10.1016/j.ejmech.2015.04.032 | Casein kinase II | 2 |
Data from ChEMBL 36 via Core Engine