Compound Detail
CHEMBL5542497
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C=CC(=O)Nc1ccc(-c2c(-c3ccc(C4(N(CC)C5CC5)COC4)c(F)c3)c3c(N)ncnc3n2C)cc1
Basic Information
| ChEMBL ID | CHEMBL5542497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWDOVTLWAYZOSW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
4.86
ALogP
7
HBA
2
HBD
98.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 8.41 | 7.655 | 3.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 3.9 | nM | 8.41 | Antiproliferation activity against mouse BaF3 cells expressing FGFR2 incubated f... | 38718625 |
| BaF3 | IC50 | = | 124.9 | nM | 6.9 | Antiproliferation activity against mouse BaF3 cells expressing FGFR1 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