Compound Detail
CHEMBL489157
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Basic Information
| ChEMBL ID | CHEMBL489157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGKYMFFYOWUTKV-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
285.8
MW (Da)
1.13
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.22
Ki 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Casein kinase I CHEMBL2111458 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Casein kinase I isoform delta CHEMBL3309063 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of CK1 | 18799313 |
| Casein kinase I | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of CK1 (unknown origin) | 31400711 |
| Casein kinase I isoform delta | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of rabbit skeletal muscle CK1delta by liquid scintillation counting | 19591487 |
| Casein kinase I isoform alpha | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintill... | 22944772 |
| Unchecked | Ki | = | 49000.0 | nM | 4.31 | Inhibition of Staphylococcus sp. APH(3')-3a | 21235241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19591487 | 10.1021/jm9005127 | Casein kinase I isoform delta | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17850214 | 10.1042/bj20070797 | Unchecked | 2 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-2 | 1 |
| 17850214 | 10.1042/bj20070797 | SRSF protein kinase 1 | 1 |
| 17850214 | 10.1042/bj20070797 | Protein kinase C zeta type | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-1 | 1 |
| 17850214 | 10.1042/bj20070797 | RAC-beta serine/threonine-protein kinase | 1 |
| 17850214 | 10.1042/bj20070797 | RAC-alpha serine/threonine-protein kinase | 1 |
| 17850214 | 10.1042/bj20070797 | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-3 | 1 |
| 18799313 | 10.1016/j.bmcl.2008.08.072 | Unchecked | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 4 | 1 |
| 17850214 | 10.1042/bj20070797 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 6 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 5 | 1 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 12 | 1 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 13 | 1 |
| 17850214 | 10.1042/bj20070797 | Ribosomal protein S6 kinase alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine