Compound Detail
CHEMBL2030393
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Basic Information
| ChEMBL ID | CHEMBL2030393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFSZNNCMCGMAHD-VIFPVBQESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
334.2
MW (Da)
2.86
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | IC50 | 8.32 | 7.72 | 4.8 | 2 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Casein kinase II alpha/beta CHEMBL3038477 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | IC50 | = | 4.8 | nM | 8.32 | Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by ... | 22560567 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli usi... | 22560567 |
| Cell division cycle 7-related protein kinase | IC50 | = | 75.0 | nM | 7.12 | Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 pho... | 22560567 |
| Casein kinase II alpha/beta | IC50 | = | 91.0 | nM | 7.04 | Inhibition of human tertrameric CK2alphabeta holoenzyme using casein as substrat... | 22560567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22560567 | 10.1016/j.bmcl.2012.04.024 | Cell division cycle 7-related protein kinase | 2 |
| 22560567 | 10.1016/j.bmcl.2012.04.024 | Plasma | 2 |
| 22560567 | 10.1016/j.bmcl.2012.04.024 | Casein kinase II alpha/beta | 1 |
| 22560567 | 10.1016/j.bmcl.2012.04.024 | Serine/threonine-protein kinase pim-1 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine