Compound Detail
CHEMBL3981706
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COc1cc(OC)cc(N(CCNC2CC(C)(C)NC(C)(C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3981706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLFQAWRMXLTAFH-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
543.7
MW (Da)
5.08
ALogP
9
HBA
2
HBD
89.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.57 | 6.3475 | 26.9 | 4 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.17 | 5.61 | 676.1 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.08 | 6.08 | 831.8 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.56 | 5.56 | 2754.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine