Compound Detail
CHEMBL212054
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
Basic Information
| ChEMBL ID | CHEMBL212054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRYKPJMJKRDDIX-UHFFFAOYSA-N |
7
Targets
8
Activities
2
Assay Types
4
PK Parameters
11
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.70
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.0
EC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.79 | 7.79 | 16.4 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.69 | 7.62 | 20.3 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| HMEC CHEMBL614734 | EC50 | 7.48 | 7.48 | 33.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| NCI-H1581 CHEMBL1075516 | IC50 | 6.12 | 6.12 | 749.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2833333.33 | ng.hr.mL-1 | Mus musculus |
| CL | 71.0 | mL.min-1.kg-1 | Mus musculus |
| F | 62.0 | % | Mus musculus |
| T1/2 | 4.217 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of VEGFR1 | 16603352 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 16.4 | nM | 7.79 | Inhibition of recombinant human VEGFR2 using poly (Glu, Tyr) 4:1 as substrate af... | 27348537 |
| Fibroblast growth factor receptor 1 | IC50 | = | 20.3 | nM | 7.69 | Inhibition of recombinant human FGFR1 using poly (Glu, Tyr) 4:1 as substrate aft... | 27348537 |
| Fibroblast growth factor receptor 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of FGFR1 | 16603352 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of VEGFR2 | 16603352 |
| HMEC | EC50 | = | 33.0 | nM | 7.48 | Inhibition of VEGF-mediated proliferation of HMVEC | 16603352 |
| Platelet-derived growth factor receptor beta | IC50 | = | 310.0 | nM | 6.51 | Inhibition of PDGFRbeta | 16603352 |
| NCI-H1581 | IC50 | = | 749.1 | nM | 6.12 | Antiproliferative activity against FGFR1-amplified human NCI-H1581 cells after 7... | 27348537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16603352 | 10.1016/j.bmcl.2006.03.069 | Mus musculus | 5 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | KM12 | 2 |
| 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 |
| 27348537 | 10.1021/acs.jmedchem.6b00056 | Fibroblast growth factor receptor 1 | 1 |
| 27348537 | 10.1021/acs.jmedchem.6b00056 | NCI-H1581 | 1 |
| 27348537 | 10.1021/acs.jmedchem.6b00056 | Vascular endothelial growth factor receptor 2 | 1 |
| 27348537 | 10.1021/acs.jmedchem.6b00056 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine