Compound Detail
CHEMBL4787060
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COC[C@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N
Basic Information
| ChEMBL ID | CHEMBL4787060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODGIYJISIWJCTG-KRWDZBQOSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
1.87
ALogP
9
HBA
2
HBD
143.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3839 | IC50 | 8.24 | 7.705 | 5.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 19.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (u... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 5.7 | nM | 8.24 | Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphoryl... | 32930584 |
| Fibroblast growth factor receptor 4 | IC50 | = | 68.0 | nM | 7.17 | Inhibition of FGFR4 in mouse BAF3 cells assessed as reduction in cell viability ... | 32930584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Fibroblast growth factor receptor 4 | 3 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | ADMET | 2 |
| 32930584 | 10.1021/acs.jmedchem.0c01019 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine