Compound Detail
CHEMBL4165836
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Basic Information
| ChEMBL ID | CHEMBL4165836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHIMHHIEKXBTPJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.88
ALogP
6
HBA
2
HBD
97.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Mahlavu CHEMBL4296473 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of N-terminal GST-fused human VEGFR2 C-terminal fragment expressed in... | 30108693 |
| Mahlavu | IC50 | = | 800.0 | nM | 6.1 | Cytotoxicity against human Mahlavu cells assessed as growth inhibition after 72 ... | 30108693 |
| Huh-7 | IC50 | = | 1700.0 | nM | 5.77 | Cytotoxicity against human HuH7 cells assessed as growth inhibition after 72 hrs... | 30108693 |
| Hep 3B2 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human Hep3B cells assessed as growth inhibition after 72 hr... | 30108693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108693 | 10.1039/C6MD00392C | Huh-7 | 4 |
| 30108693 | 10.1039/C6MD00392C | Hep 3B2 | 2 |
| 30108693 | 10.1039/C6MD00392C | Mahlavu | 1 |
| 30108693 | 10.1039/C6MD00392C | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine