Compound Detail
CHEMBL3893398
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
COc1cc(OC)cc(N(CCCNS(=O)(=O)N(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3893398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HONWIFHKRIBHLZ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
2.97
ALogP
9
HBA
1
HBD
114.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 9.05 | 8.265 | 0.9 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.8 | 7.075 | 15.8 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.44 | 7.44 | 36.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 0.8913 | nM | 9.05 | Inhibition of TEL-fused FGFR3 (unknown origin) transfected in mouse BA/F3 cells ... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 15.85 | nM | 7.8 | Inhibition of recombinant human N-terminal His6-tagged VEGFR2 (790 end residues)... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 33.11 | nM | 7.48 | Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 36.31 | nM | 7.44 | Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 446.68 | nM | 6.35 | Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ... | - |
Data from ChEMBL 36 via Core Engine