Compound Detail
CHEMBL3985853
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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCN5CCNCC5)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3985853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTRCUCHWVOMQOQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990358 |
| Active Moiety | CHEMBL3990358 |
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
3.96
ALogP
9
HBA
1
HBD
80.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.76 | 6.65 | 1.7 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.66 | 7.3 | 2.2 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.33 | 7.33 | 46.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.14 | 5.8667 | 72.4 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.26 | 5.255 | 5495.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine