Compound Detail
CHEMBL359070
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Basic Information
| ChEMBL ID | CHEMBL359070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONMHFSWEICUVPJ-CSKARUKUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.45
ALogP
4
HBA
2
HBD
90.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.78 | 4.62 | 16700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 16700.0 | nM | 4.78 | Inhibition of human coronary artery smooth muscle cells (SMC's) proliferation, i... | 11229768 |
| NON-PROTEIN TARGET | IC50 | = | 34500.0 | nM | 4.46 | Evaluated for inhibition of proliferation of human coronary artery endothelial c... | 11229768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11229768 | 10.1016/s0960-894x(00)00717-4 | NON-PROTEIN TARGET | 2 |
| 11229768 | 10.1016/s0960-894x(00)00717-4 | Unchecked | 1 |
| 19879136 | 10.1016/j.bmcl.2009.09.120 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine