Compound Detail
CHEMBL3945658
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COc1cc(OC)cc(N(CC#Cc2ccnc(C#N)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3945658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPRHXRHXANOZCR-UHFFFAOYSA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
4.50
ALogP
9
HBA
0
HBD
102.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.12 | 6.0467 | 75.9 | 3 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 6.79 | 5.9733 | 162.2 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 6.64 | 6.64 | 229.1 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.43 | 6.43 | 371.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.08 | 5.5267 | 831.8 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.33 | 5.25 | 4677.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine