Compound Detail
CHEMBL3334980
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Basic Information
| ChEMBL ID | CHEMBL3334980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHLFERIUOTYKKU-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.89
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Kd 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17A CHEMBL4525 | Kd | 7.89 | 7.89 | 13.0 | 1 |
| Serine/threonine-protein kinase 17B CHEMBL3980 | Kd | 7.57 | 7.57 | 27.0 | 1 |
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | IC50 | 5.31 | 5.31 | 4940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17A | Kd | = | 13.0 | nM | 7.89 | Binding affinity to DRAK1 (unknown origin) | 25178155 |
| Serine/threonine-protein kinase 17B | Kd | = | 27.0 | nM | 7.57 | Binding affinity to DRAK2 (unknown origin) ATP site | 25178155 |
| Serine/threonine-protein kinase 17B | IC50 | = | 1780.0 | nM | 5.75 | Inhibition of DRAK2 (unknown origin) using 33P-ATP after 30 mins by Trilux scint... | 25178155 |
| Serine/threonine-protein kinase 17A | IC50 | = | 4940.0 | nM | 5.31 | Inhibition of DRAK1 (unknown origin) using 33P-ATP after 30 mins by Trilux scint... | 25178155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25178155 | 10.1021/jm5007929 | Serine/threonine-protein kinase 17B | 3 |
| 25178155 | 10.1021/jm5007929 | Serine/threonine-protein kinase 17A | 3 |
| 25178155 | 10.1021/jm5007929 | Death-associated protein kinase 1 | 1 |
| 25178155 | 10.1021/jm5007929 | Death-associated protein kinase 2 | 1 |
| 25178155 | 10.1021/jm5007929 | Death-associated protein kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine