Compound Detail
CHEMBL3314283
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Basic Information
| ChEMBL ID | CHEMBL3314283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQMYSDCMUDBCHJ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.04
ALogP
3
HBA
3
HBD
73.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.18 | 5.18 | 6620.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 4.77 | 4.77 | 16900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 1140.0 | nM | 5.94 | Inhibition of p38alpha MAPK (unknown origin) by radiometric assay | 24930833 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 6620.0 | nM | 5.18 | Inhibition of JAK2 (unknown origin) by radiometric assay | 24930833 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of JAK3 (unknown origin) by radiometric assay | 24930833 |
| Casein kinase I isoform delta | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of CK1-delta (unknown origin) by radiometric assay | 24930833 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 16900.0 | nM | 4.77 | Inhibition of JAK1 (unknown origin) by radiometric assay | 24930833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24930833 | 10.1016/j.bmcl.2014.05.080 | Mitogen-activated protein kinase 14 | 4 |
| 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