Compound Detail
CHEMBL3943917
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[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])cc(N(CC#Cc2ccncc2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3943917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWYSFHRYCZIJJM-LIJFRPJRSA-N |
| Parent Compound | CHEMBL3991188 |
| Active Moiety | CHEMBL3991188 |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.68
ALogP
8
HBA
0
HBD
78.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.21 | 7.0833 | 6.2 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.21 | 7.0767 | 6.2 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.55 | 7.55 | 28.2 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.46 | 5.61 | 346.7 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.31 | 5.2 | 4897.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine