Compound Detail
CHEMBL1630354
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Basic Information
| ChEMBL ID | CHEMBL1630354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZKQQZJODIPCDW-AUWJEWJLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.11
ALogP
4
HBA
2
HBD
89.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
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 | 35580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 35580.0 | nM | 4.45 | Antiangiogenic activity in HUVEC after 96 hrs by MTT assay | 20974505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20974505 | 10.1016/j.ejmech.2010.09.061 | ADMET | 2 |
| 20974505 | 10.1016/j.ejmech.2010.09.061 | HUVEC | 1 |
| 20974505 | 10.1016/j.ejmech.2010.09.061 | MCF7 | 1 |
| 20974505 | 10.1016/j.ejmech.2010.09.061 | A549 | 1 |
Data from ChEMBL 36 via Core Engine