Compound Detail
CHEMBL3970430
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COc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(CCS(C)(=O)=O)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3970430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYRVRXVRRSZALT-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
564.7
MW (Da)
4.18
ALogP
10
HBA
0
HBD
102.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.86 | 8.415 | 1.4 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.75 | 8.27 | 1.8 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.61 | 8.61 | 2.5 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.6 | 6.96 | 25.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine