Compound Detail
CHEMBL3955563
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COc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3955563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUGJLIOPCUJKNU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990768 |
| Active Moiety | CHEMBL3990768 |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
4.13
ALogP
9
HBA
1
HBD
88.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.97 | 8.45 | 1.1 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.68 | 8.295 | 2.1 | 2 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.59 | 7.115 | 25.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine