Compound Detail
CHEMBL3933707
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COc1cc(OC)cc(N(CCCN2CCC(S(C)(=O)=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3933707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHIQKRYMXUFAGS-UHFFFAOYSA-N |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
3.69
ALogP
10
HBA
0
HBD
102.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.9 | 8.16 | 1.3 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.79 | 8.345 | 1.6 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.54 | 6.94 | 28.8 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine