Compound Detail
CHEMBL1643579
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Basic Information
| ChEMBL ID | CHEMBL1643579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQJNOUNTZYFLEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.49
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 5700.0 | nM | 5.24 | Growth inhibition of HUVEC cells after 20 hrs by MTT assay | 21145750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21145750 | 10.1016/j.bmc.2010.11.010 | HUVEC | 5 |
| 21145750 | 10.1016/j.bmc.2010.11.010 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine