Compound Detail
CHEMBL3980417
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COc1cc(OC)cc(N(CC#Cc2cc(CO)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3980417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVHRYVZNKJPNLU-UHFFFAOYSA-N |
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
4.12
ALogP
9
HBA
1
HBD
98.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.62 | 7.36 | 2.4 | 3 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.47 | 8.375 | 3.4 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.27 | 5.66 | 537.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.13 | 5.13 | 7413.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine