Compound Detail
CHEMBL5566546
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C=CC(=O)NC12CCC(c3c(-c4ccc(Oc5nccc(C)n5)c(F)c4)c4c(N)ncnc4n3C)(CC1)CC2
Basic Information
| ChEMBL ID | CHEMBL5566546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBFABOFIYLKQIS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
4.89
ALogP
8
HBA
2
HBD
120.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 6.63 | 6.63 | 233.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 233.0 | nM | 6.63 | Antiproliferation activity against mouse BaF3 cells expressing FGFR2 incubated f... | 38718625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38718625 | 10.1016/j.ejmech.2024.116473 | BaF3 | 3 |
Data from ChEMBL 36 via Core Engine