Compound Detail
CHEMBL3906253
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COC(=O)c1ccnc(C#CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)n1
Basic Information
| ChEMBL ID | CHEMBL3906253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNDDPQBVBYCMAP-UHFFFAOYSA-N |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
3.81
ALogP
11
HBA
0
HBD
117.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.75 | 6.65 | 17.8 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.69 | 6.4 | 20.4 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.21 | 7.21 | 61.7 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.42 | 5.6133 | 380.2 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.5 | 5.4 | 3162.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine