Compound Detail
CHEMBL3902961
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COc1cc(OC)cc(N(CC#Cc2cc(N)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3902961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWIRJQMGGXJLNW-UHFFFAOYSA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
4.21
ALogP
9
HBA
1
HBD
104.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.78 | 7.6067 | 1.7 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.53 | 8.53 | 3.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.48 | 7.4467 | 3.3 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.63 | 5.9833 | 234.4 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.77 | 5.685 | 1698.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine