Compound Detail
CHEMBL3921476
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COc1cc(OC)cc(N(CCCN2CCC[C@H]2CC#N)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3921476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDLMCOSRVJITKF-FTBISJDPSA-N |
| Parent Compound | CHEMBL3990096 |
| Active Moiety | CHEMBL3990096 |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.95
ALogP
9
HBA
0
HBD
92.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.74 | 8.26 | 1.8 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.69 | 8.34 | 2.0 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.52 | 6.745 | 30.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine