Compound Detail
CHEMBL5877066
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C=CC(=O)N1C[C@@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C[C@H]1CO
Basic Information
| ChEMBL ID | CHEMBL5877066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJYGEUHEYMHEHG-HOTGVXAUSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
1.15
ALogP
9
HBA
2
HBD
128.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.43 | 8.43 | 3.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 3.7 | nM | 8.43 | FGFR2 Kinase Activity: When setting conditions for the measurement of the inhibi... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 3.7 | nM | 8.43 | Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 3.7 | nM | 8.43 | Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... | - |
Data from ChEMBL 36 via Core Engine