Compound Detail
CHEMBL101683
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Basic Information
| ChEMBL ID | CHEMBL101683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGPZCOONYBPZEW-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
337.8
MW (Da)
4.60
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.7
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 15.0 | nM | 7.82 | Inhibition of phosphorylated-Kdr after 30 mins | 17869515 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Vascular endothelial growth factor receptor 2 | 12941313 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of KDR by ELISA | 18420406 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of vascular endothelial growth factor receptor 1 | 12941313 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 240.0 | nM | 6.62 | Inhibition of Proto-oncogene tyrosine-protein kinase Kit | 12941313 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of c-Src tyrosine kinase | 12941313 |
| Epidermal growth factor receptor | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of Epidermal growth factor receptor | 12941313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Death-associated protein kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C eta type | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| 23398362 | 10.1042/bj20121418 | SRSF protein kinase 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase MARK1 | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Fyn | 2 |
| 23398362 | 10.1042/bj20121418 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 2 |
| 23398362 | 10.1042/bj20121418 | Mitogen-activated protein kinase 10 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase 4 | 2 |
Data from ChEMBL 36 via Core Engine