Compound Detail
CHEMBL3960128
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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C(C)(C)C(=O)N5CCNCC5)c4)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL3960128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZRVTNNQCLYNOB-UHFFFAOYSA-N |
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
4.23
ALogP
9
HBA
1
HBD
97.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.93 | 6.16 | 11.8 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.73 | 6.52 | 18.6 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.73 | 7.73 | 18.6 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.34 | 5.5633 | 457.1 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.12 | 6.12 | 758.6 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.37 | 5.315 | 4265.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine