Compound Detail
CHEMBL3968818
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COc1cc(OC)cc(N(CCCN2CCCC2(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3968818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXVLJTMBTSLDPM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990184 |
| Active Moiety | CHEMBL3990184 |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
5.45
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.76 | 8.29 | 1.7 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.28 | 8.11 | 5.2 | 2 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.94 | 7.94 | 11.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.95 | 6.385 | 112.2 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.04 | 5.04 | 9120.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine