Compound Detail
CHEMBL3120963
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Basic Information
| ChEMBL ID | CHEMBL3120963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCFAXAIGJNYTQW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.54
ALogP
7
HBA
1
HBD
81.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.3 | 6.205 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 240.0 | nM | 6.62 | Inhibition of CK1-delta (unknown origin) by radiometric assay | 24930833 |
| Mitogen-activated protein kinase 14 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of p38a MAPK (unknown origin) by radiometric assay | 24508134 |
| Mitogen-activated protein kinase 14 | IC50 | = | 783.0 | nM | 6.11 | Inhibition of p38alpha MAPK (unknown origin) by radiometric assay | 24930833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24508134 | 10.1016/j.bmcl.2014.01.034 | Mitogen-activated protein kinase 14 | 1 |
| 24930833 | 10.1016/j.bmcl.2014.05.080 | Mitogen-activated protein kinase 14 | 1 |
| 24930833 | 10.1016/j.bmcl.2014.05.080 | Casein kinase I isoform delta | 1 |
| 24930833 | 10.1016/j.bmcl.2014.05.080 | Tyrosine-protein kinase JAK1 | 1 |
| 24930833 | 10.1016/j.bmcl.2014.05.080 | Tyrosine-protein kinase JAK2 | 1 |
| 24930833 | 10.1016/j.bmcl.2014.05.080 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine