Compound Detail
CHEMBL5572973
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COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Basic Information
| ChEMBL ID | CHEMBL5572973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPUPQFGFBQUCTG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
2.28
ALogP
10
HBA
2
HBD
145.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.86 | 7.86 | 13.7 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 4.44 | 4.44 | 36600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 6.0 | nM | 8.22 | Antiproliferative activity against mouse BaF3 cells harboring wild type FGFR4 as... | 38348819 |
| Fibroblast growth factor receptor 4 | IC50 | = | 13.7 | nM | 7.86 | Inhibition of N-terminal 6His tagged FGFR4 (unknown origin) expressed in Escheri... | 38348819 |
| Hep 3B2 | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against human Hep3B cells assessed as inhibition of c... | 38348819 |
| NCI-H1299 | IC50 | = | 36600.0 | nM | 4.44 | Antiproliferative activity against FGFR4 independent human NCI-H1299 cells asses... | 38348819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38348819 | 10.1021/acs.jmedchem.3c01810 | Fibroblast growth factor receptor 4 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | BaF3 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | Hep 3B2 | 1 |
| 38348819 | 10.1021/acs.jmedchem.3c01810 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine