Compound Detail
CHEMBL5785744
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COc1cc(C#CC2NN(C3CN(C(=O)/C=C/CN4CCCCC4)C3)c3ncnc(N)c32)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL5785744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOYAOMWIBMCNEI-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
1.75
ALogP
9
HBA
2
HBD
109.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 3.3 | nM | 8.48 | FGFR2 Kinase Activity: When setting conditions for the measurement of the inhibi... | - |
Data from ChEMBL 36 via Core Engine