Compound Detail
CHEMBL3917908
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COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCN(C)CC5)c4)nc3c2)c1.Cl
Basic Information
| ChEMBL ID | CHEMBL3917908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWJUKYMCFMIUBZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3990224 |
| Active Moiety | CHEMBL3990224 |
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
4.91
ALogP
9
HBA
1
HBD
80.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.85 | 7.1667 | 1.4 | 3 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.53 | 8.53 | 3.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.34 | 6.97 | 4.6 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.71 | 7.71 | 19.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.19 | 6.23 | 64.6 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.41 | 5.31 | 3890.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine