Compound Detail
CHEMBL3799269
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Basic Information
| ChEMBL ID | CHEMBL3799269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNIJOTMYVHYZJU-KMQMGNEHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
5.06
ALogP
5
HBA
4
HBD
102.8
PSA (Ų)
0.20
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17A CHEMBL4525 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17A | IC50 | = | 700.0 | nM | 6.16 | Inhibition of DRAK1 (unknown origin) | 27106709 |
| Serine/threonine-protein kinase 17B | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of DRAK2 (unknown origin) using MRLC3 peptide as substrate incubated ... | 27106709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27106709 | 10.1016/j.bmcl.2016.03.111 | Serine/threonine-protein kinase 17A | 1 |
| 27106709 | 10.1016/j.bmcl.2016.03.111 | Serine/threonine-protein kinase 17B | 1 |
Data from ChEMBL 36 via Core Engine