Compound Detail
CHEMBL92461
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Basic Information
| ChEMBL ID | CHEMBL92461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBWLNACPIFKNIP-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.13
ALogP
5
HBA
0
HBD
39.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.72 | 7.4725 | 19.0 | 4 |
| Vascular endothelial growth factor receptor CHEMBL2095227 | IC50 | 6.41 | 6.41 | 387.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 19.0 | nM | 7.72 | Inhibitory activity at VEGF-2 receptor. | 12217372 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of Vascular endothelial growth factor receptor 2 | 12443771 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorptio... | 21306896 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 185.0 | nM | 6.73 | Inhibition of KDR by HTRF assay | 18557606 |
| Vascular endothelial growth factor receptor | IC50 | = | 387.0 | nM | 6.41 | Inhibition of VEGF-stimulated mitogenesis in human umbilical vein endothelial ce... | 12217372 |
| Vascular endothelial growth factor receptor | IC50 | = | 387.0 | nM | 6.41 | Inhibition of VEGF-stimulated mitogenesis in endothelial cells | 12443771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Mitogen-activated protein kinase 10 | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform gamma-3 | 2 |
| 23398362 | 10.1042/bj20121418 | 3-phosphoinositide-dependent protein kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | SRSF protein kinase 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase MARK1 | 2 |
| 21306896 | 10.1016/j.bmcl.2011.01.037 | Vascular endothelial growth factor receptor 2 | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 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 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine