Compound Detail
CHEMBL3953771
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COc1ccnc(C#CCN(c2ccc3ncc(-c4cnn(C)c4)nc3c2)c2c(Cl)c(OC)cc(OC)c2Cl)n1
Basic Information
| ChEMBL ID | CHEMBL3953771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMWXIQFNVQJMQA-UHFFFAOYSA-N |
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
576.4
MW (Da)
5.34
ALogP
10
HBA
0
HBD
100.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.38 | 8.03 | 4.2 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.11 | 8.005 | 7.8 | 2 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.86 | 5.8533 | 138.0 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine