Compound Detail
CHEMBL3937533
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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCN5CCN(CCO)CC5)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3937533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VODOUHVUVVFGNL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990445 |
| Active Moiety | CHEMBL3990445 |
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
3.67
ALogP
10
HBA
1
HBD
92.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.89 | 6.7167 | 1.3 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.66 | 7.335 | 2.2 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.61 | 7.61 | 24.6 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.04 | 5.7533 | 91.2 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.21 | 5.2 | 6165.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine