Compound Detail
CHEMBL501724
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Basic Information
| ChEMBL ID | CHEMBL501724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHPMAOLCNNEBOA-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
2
PK Parameters
12
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
3.12
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | IC50 | 8.85 | 8.685 | 1.4 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.76 | 7.76 | 17.2 | 1 |
| Casein kinase II alpha/beta CHEMBL3038477 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.48 | 6.48 | 332.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.7 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 0.06667 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | IC50 | = | 1.4 | nM | 8.85 | Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by ... | 22560567 |
| Cell division cycle 7-related protein kinase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of CDC7-DBF4 | 18672368 |
| Glycogen synthase kinase-3 beta | IC50 | = | 17.2 | nM | 7.76 | Inhibition of human recombinant GSK3-beta expressed in baculovirus infected SF9 ... | 21295469 |
| Casein kinase II alpha/beta | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human tertrameric CK2alphabeta holoenzyme using casein as substrat... | 22560567 |
| Unchecked | IC50 | = | 27.0 | nM | 7.57 | Inhibition of CK2 | 21295469 |
| Dual specificity protein kinase CLK1 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of CLK1 | 21295469 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 332.0 | nM | 6.48 | Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli usi... | 22560567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21295469 | 10.1016/j.bmcl.2011.01.017 | Glycogen synthase kinase-3 beta | 2 |
| 21295469 | 10.1016/j.bmcl.2011.01.017 | MDCK | 2 |
| 22560567 | 10.1016/j.bmcl.2012.04.024 | Plasma | 2 |
| 18672368 | 10.1016/j.bmcl.2008.07.061 | Cell division cycle 7-related protein kinase | 1 |
| 18672368 | 10.1016/j.bmcl.2008.07.061 | A549 | 1 |
| 18672368 | 10.1016/j.bmcl.2008.07.061 | ADMET | 1 |
| 21295469 | 10.1016/j.bmcl.2011.01.017 | Dual specificity protein kinase CLK1 | 1 |
| 21295469 | 10.1016/j.bmcl.2011.01.017 | Unchecked | 1 |
| 21295469 | 10.1016/j.bmcl.2011.01.017 | Liver microsomes | 1 |
| 22560567 | 10.1016/j.bmcl.2012.04.024 | Cell division cycle 7-related protein kinase | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine