Compound Detail
CHEMBL3918800
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COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@H]2CC[C@H](NC(C)C)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3918800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHSYHYFTUKZLCI-HZCBDIJESA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
5.49
ALogP
8
HBA
1
HBD
77.3
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.55 | 6.9167 | 2.8 | 3 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.24 | 6.8733 | 5.8 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.16 | 6.0367 | 69.2 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.42 | 5.345 | 3801.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine