Compound Detail
CHEMBL1437894
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Basic Information
| ChEMBL ID | CHEMBL1437894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWBMZIJMSBFBIY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.7
MW (Da)
3.52
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Serine/threonine-protein kinase PAK 1 CHEMBL4600 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Drosophila CHEMBL612724 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 2000.0 | nM | 5.7 | Growth inhibition of human A549 cells | 28814374 |
| Serine/threonine-protein kinase PAK 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of HA-PAK1 (unknown origin) using histone H4 substrate and [gamma-32P... | 28814374 |
| Drosophila | IC50 | = | 4600.0 | nM | 5.34 | Immunosuppressive activity in Drosophila S2 cells expressing att-luc reporter ge... | 26122773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26122773 | 10.1016/j.bmc.2015.06.027 | Drosophila | 3 |
| 28814374 | 10.1016/j.ejmech.2017.07.043 | Serine/threonine-protein kinase PAK 1 | 1 |
| 28814374 | 10.1016/j.ejmech.2017.07.043 | A549 | 1 |
Data from ChEMBL 36 via Core Engine