Compound Detail
CHEMBL5833027
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COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN4CCC4)C3)c3ncnc(N)c23)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL5833027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJEXNLQQUUZCQM-HWKANZROSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
2.08
ALogP
8
HBA
1
HBD
98.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.6 | 8.6 | 2.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 2.5 | nM | 8.6 | FGFR2 Kinase Activity: When setting conditions for the measurement of the inhibi... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 2.5 | nM | 8.6 | Measurement of Inhibitory Effect on FGFR2 Kinase Activity: When setting conditio... | - |
Data from ChEMBL 36 via Core Engine