Compound Detail
CHEMBL1649761
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Basic Information
| ChEMBL ID | CHEMBL1649761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPYQFPGTGGLOMD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.8
MW (Da)
4.28
ALogP
4
HBA
2
HBD
80.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase II CHEMBL2095191 | IC50 | 6.38 | 6.38 | 417.0 | 2 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.1 | 6.1 | 798.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase II | IC50 | = | 417.0 | nM | 6.38 | Inhibition of human recombinant CK2 assessed as inhibition of [gamma33P]ATP inco... | 21174434 |
| Casein kinase II | IC50 | = | 417.0 | nM | 6.38 | Inhibition of human recombinant CK2 using RRRDDDSDDD as substrate by radiometric... | 21982499 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 798.0 | nM | 6.1 | Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometr... | 21982499 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 1250.0 | nM | 5.9 | Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometr... | 21982499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21174434 | 10.1021/jm101251q | Casein kinase II | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | Casein kinase II | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | Serine/threonine-protein kinase pim-1 | 1 |
| 21982499 | 10.1016/j.bmcl.2011.09.059 | Serine/threonine-protein kinase pim-2 | 1 |
Data from ChEMBL 36 via Core Engine