Compound Detail
CHEMBL3921197
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COc1cc(OC)cc(N(Cc2csc(C)n2)c2ccc3ncc(-c4cnn(CCN5CCNCC5)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3921197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYDPEBSICGOHJT-UHFFFAOYSA-N |
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
4.52
ALogP
11
HBA
1
HBD
93.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.08 | 7.635 | 0.8 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.85 | 6.8033 | 1.4 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.58 | 8.58 | 2.6 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.3 | 6.38 | 50.1 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.11 | 5.08 | 7762.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine