Compound Detail
CHEMBL3927140
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COc1cc(OC)cc(N(CC#Cc2cc(OC)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3927140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHEDUFSEDRFCTH-UHFFFAOYSA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
4.64
ALogP
9
HBA
0
HBD
87.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.63 | 7.33 | 2.3 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.5 | 7.3933 | 3.2 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.71 | 5.4267 | 1949.8 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.43 | 5.34 | 3715.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine