Compound Detail
CHEMBL305234
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Basic Information
| ChEMBL ID | CHEMBL305234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISBKHBKPWXJLKX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
2.93
ALogP
8
HBA
4
HBD
146.1
PSA (Ų)
0.18
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| NADPH oxidase 4 CHEMBL1250375 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 900.0 | nM | 6.05 | Tested for in vitro inhibitory activity against tyrosine protein kinase pp60 c-s... | 7518523 |
| NADPH oxidase 4 | IC50 | = | 1580.0 | nM | 5.8 | Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H... | 20731357 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 8400.0 | nM | 5.08 | In vitro inhibitory activity against protein kinase A | 7518523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20731357 | 10.1021/jm1004368 | NADPH oxidase 4 | 3 |
| 7518523 | 10.1021/jm00040a015 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 7518523 | 10.1021/jm00040a015 | cAMP-dependent protein kinase (PKA) | 1 |
| 20731357 | 10.1021/jm1004368 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine