Compound Detail
CHEMBL212070
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Basic Information
| ChEMBL ID | CHEMBL212070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRZXBDYODHLZBF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
1.90
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 4.45 | 4.45 | 35400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 35400.0 | nM | 4.45 | Antiproliferative activity against HUVEC cell line | 16793260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16793260 | 10.1016/j.bmcl.2006.06.007 | U-87 MG | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | B16 | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | HeLa | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | DLD-1 | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | SiHa | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | NIH3T3 | 1 |
| 16793260 | 10.1016/j.bmcl.2006.06.007 | HUVEC | 1 |
| 24749861 | 10.1021/jm5002452 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 1 |
Data from ChEMBL 36 via Core Engine