Compound Detail
CHEMBL4866727
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Basic Information
| ChEMBL ID | CHEMBL4866727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBORJZZEYKYCBE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
4.44
ALogP
5
HBA
1
HBD
83.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 20000.0 | nM | 4.7 | Antiproliferative activity against human HT-29 cells assessed as inhibition of V... | 33340911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33340911 | 10.1016/j.ejmech.2020.113083 | Vascular endothelial growth factor receptor 2 | 1 |
| 33340911 | 10.1016/j.ejmech.2020.113083 | HT-29 | 1 |
| 33340911 | 10.1016/j.ejmech.2020.113083 | MKN-45 | 1 |
| 33340911 | 10.1016/j.ejmech.2020.113083 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine