Compound Detail
CHEMBL2324266
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Basic Information
| ChEMBL ID | CHEMBL2324266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSTGTGUMVOFPSQ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
5.24
ALogP
8
HBA
1
HBD
76.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.68
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255164 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Casein kinase I isoform delta CHEMBL4484 | IC50 | 6.68 | 6.42 | 210.0 | 3 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 5.38 | 5.38 | 4120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-serine O-palmitoleoyltransferase porcupine | EC50 | = | 40.0 | nM | 7.4 | Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by... | 23477365 |
| Casein kinase I isoform delta | IC50 | = | 210.0 | nM | 6.68 | Inhibition of rat GST-tagged CK1delta M82F mutant at 10 uM using alpha-casein as... | 29630366 |
| Casein kinase I isoform delta | IC50 | = | 400.0 | nM | 6.4 | Inhibition of rat recombinant CK1delta kinase domain using alpha-casein as subst... | 29630366 |
| Casein kinase I isoform delta | IC50 | = | 660.0 | nM | 6.18 | Inhibition of full-length rat GST-tagged CK1delta using alpha-casein as substrat... | 29630366 |
| Casein kinase I isoform epsilon | IC50 | = | 4120.0 | nM | 5.38 | Inhibition of human recombinant CK1epsilon using alpha-casein as substrate after... | 29630366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform delta | 3 |
| 23477365 | 10.1021/jm400159c | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform epsilon | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform alpha | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform gamma-3 | 1 |
Data from ChEMBL 36 via Core Engine