Compound Detail
CHEMBL2203565
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Basic Information
| ChEMBL ID | CHEMBL2203565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVNNTRZFDXTUGO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
6
PK Parameters
8
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.54
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform gamma-2 CHEMBL2543 | IC50 | 8.4 | 7.6067 | 4.0 | 3 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | IC50 | 6.42 | 6.42 | 383.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.42 | 4.42 | 38100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 838.74 | ng.hr.mL-1 | Mus musculus |
| CL | 177.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 106.0 | mL.min-1.g-1 | Rattus norvegicus |
| Cmax | 560.0 | nM | Mus musculus |
| T1/2 | 1.4 | hr | Mus musculus |
| Tmax | 0.17 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform gamma-2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate ... | 24900428 |
| Casein kinase I isoform gamma-2 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induc... | 24900428 |
| Casein kinase I isoform gamma-2 | IC50 | = | 87.0 | nM | 7.06 | Inhibition of human CK1-gamma2 in HEK293 cells assessed as inhibition of doxcycl... | 24900428 |
| Casein kinase I isoform delta | IC50 | = | 114.0 | nM | 6.94 | Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in... | 24900428 |
| Casein kinase I isoform alpha | IC50 | = | 383.0 | nM | 6.42 | Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in... | 24900428 |
| Glycogen synthase kinase-3 beta | IC50 | = | 38100.0 | nM | 4.42 | Inhibition of GSK3beta | 24900428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900428 | 10.1021/ml300278f | Mus musculus | 4 |
| 24900428 | 10.1021/ml300278f | Casein kinase I isoform gamma-2 | 3 |
| 24900428 | 10.1021/ml300278f | Plasma | 2 |
| 24900428 | 10.1021/ml300278f | Liver microsomes | 2 |
| 24900428 | 10.1021/ml300278f | Unchecked | 2 |
| 24900428 | 10.1021/ml300278f | Glycogen synthase kinase-3 beta | 1 |
| 24900428 | 10.1021/ml300278f | Casein kinase I isoform delta | 1 |
| 24900428 | 10.1021/ml300278f | Casein kinase I isoform alpha | 1 |
Data from ChEMBL 36 via Core Engine