Compound Detail
CHEMBL4099329
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Basic Information
| ChEMBL ID | CHEMBL4099329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OINWQMFPLYPJMF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.91
ALogP
5
HBA
2
HBD
80.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.96 | 8.96 | 1.1 | 2 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 8.09 | 8.09 | 8.1 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.56 | 7.56 | 27.3 | 1 |
| Chorioallantoic membrane CHEMBL2367390 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 0.7 | nM | 9.15 | Cytotoxicity against human A431 cells | 27894589 |
| Epidermal growth factor receptor | IC50 | = | 1.1 | nM | 8.96 | Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phos... | 27894589 |
| Epidermal growth factor receptor | IC50 | = | 1.1 | nM | 8.96 | Inhibition of EGFR (unknown origin) | 35311289 |
| Platelet-derived growth factor receptor beta | IC50 | = | 8.1 | nM | 8.09 | Inhibition of PDGFR-beta in human SF539 cells assessed as reduction in PDGF-BB i... | 27894589 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 27.3 | nM | 7.56 | Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced ... | 27894589 |
| Chorioallantoic membrane | IC50 | = | 2300.0 | nM | 5.64 | Antiangiogenic activity in Leghorn chicken egg chorioallantoic membrane assessed... | 27894589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27894589 | 10.1016/j.bmc.2016.11.026 | Unchecked | 3 |
| 27894589 | 10.1016/j.bmc.2016.11.026 | Vascular endothelial growth factor receptor 2 | 1 |
| 27894589 | 10.1016/j.bmc.2016.11.026 | Epidermal growth factor receptor | 1 |
| 27894589 | 10.1016/j.bmc.2016.11.026 | Platelet-derived growth factor receptor beta | 1 |
| 27894589 | 10.1016/j.bmc.2016.11.026 | A-431 | 1 |
| 27894589 | 10.1016/j.bmc.2016.11.026 | Chorioallantoic membrane | 1 |
| 35311289 | 10.1021/acs.jmedchem.1c01714 | Epidermal growth factor receptor | 1 |
| 35311289 | 10.1021/acs.jmedchem.1c01714 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine