Compound Detail
CHEMBL480356
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NNc4ccccc4)cc32)c(C)c1CCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL480356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCZQBFMPHLFNIO-MOSHPQCFSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.90
ALogP
4
HBA
5
HBD
123.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.46 | 5.46 | 3480.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 40.0 | nM | 7.4 | Inhibition of PDGFRbeta | 19110422 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of VEGFR2 | 19110422 |
| Fibroblast growth factor receptor 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human FGFR1 expressed in insect cells by HTRF method | 19110422 |
| Epidermal growth factor receptor | IC50 | = | 3480.0 | nM | 5.46 | Inhibition of EGFR | 19110422 |
| HUVEC | IC50 | = | 27400.0 | nM | 4.56 | Inhibition of rhFGF2-induced HUVEC proliferation | 19110422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19110422 | 10.1016/j.bmcl.2008.12.023 | HUVEC | 4 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | RAC-alpha serine/threonine-protein kinase | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | Unchecked | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | c-Jun N-terminal kinase, JNK | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | Epidermal growth factor receptor | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | Platelet-derived growth factor receptor beta | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | Vascular endothelial growth factor receptor 2 | 1 |
| 19110422 | 10.1016/j.bmcl.2008.12.023 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine