Compound Detail
CHEMBL1823139
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Basic Information
| ChEMBL ID | CHEMBL1823139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCGSYRJDXGAGNI-CMDGGOBGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
3.59
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 9.42 | 9.03 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 0.38 | nM | 9.42 | Antiproliferative activity against HUVEC grown in presence of growth factors aft... | 21774499 |
| HUVEC | IC50 | = | 2.3 | nM | 8.64 | Antiproliferative activity against HUVEC grown in absence of growth factors afte... | 21774499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21774499 | 10.1021/jm200454y | HUVEC | 3 |
Data from ChEMBL 36 via Core Engine