Compound Detail
CHEMBL3986861
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COc1cc(OC)cc(N(CC#CC2CCNCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3986861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYCMDJPHKDFINU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3991023 |
| Active Moiety | CHEMBL3991023 |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
4.19
ALogP
8
HBA
1
HBD
77.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.15 | 6.62 | 7.1 | 3 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.53 | 6.3867 | 29.5 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.89 | 6.89 | 128.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.47 | 5.6333 | 338.8 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.29 | 5.19 | 5128.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine