Compound Detail
CHEMBL378299
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Basic Information
| ChEMBL ID | CHEMBL378299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSHPNNCEUZTANR-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.56
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.55
EC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| HMEC CHEMBL614734 | EC50 | 7.01 | 7.01 | 97.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of VEGFR1 | 16603352 |
| Fibroblast growth factor receptor 1 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of FGFR1 | 16603352 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 78.0 | nM | 7.11 | Inhibition of VEGFR2 | 16603352 |
| HMEC | EC50 | = | 97.0 | nM | 7.01 | Inhibition of VEGF-mediated proliferation of HMVEC | 16603352 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of c-ABL | 16678414 |
| Platelet-derived growth factor receptor beta | IC50 | = | 690.0 | nM | 6.16 | Inhibition of PDGFRbeta | 16603352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16678414 | 10.1016/j.bmcl.2006.04.043 | Tyrosine-protein kinase ABL1 | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | HMEC | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | Fibroblast growth factor receptor 1 | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | Platelet-derived growth factor receptor beta | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | Vascular endothelial growth factor receptor 1 | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine