Compound Detail
CHEMBL5569392
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C=CC(=O)N1CC[C@H](n2nc(C#Cc3ccc4c(c3)nc(C)n4C)c(C(N)=O)c2NC)C1
Basic Information
| ChEMBL ID | CHEMBL5569392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHCRNUSFDLTSCW-INIZCTEOSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
1.58
ALogP
7
HBA
2
HBD
111.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.83 | 7.305 | 14.7 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.81 | 7.81 | 15.4 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.26 | 7.11 | 54.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 14.7 | nM | 7.83 | Inhibition of wild type FGFR2 (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 pep... | 38267212 |
| Fibroblast growth factor receptor 1 | IC50 | = | 15.4 | nM | 7.81 | Inhibition of wild type FGFR1 (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 pep... | 38267212 |
| Fibroblast growth factor receptor 3 | IC50 | = | 54.6 | nM | 7.26 | Inhibition of wild type FGFR3 (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 pep... | 38267212 |
| Fibroblast growth factor receptor 3 | IC50 | = | 111.0 | nM | 6.96 | Inhibition of FGFR3 K650M mutant (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 ... | 38267212 |
| Fibroblast growth factor receptor 2 | IC50 | = | 164.8 | nM | 6.78 | Inhibition of FGFR2 V564F mutant (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 ... | 38267212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38267212 | 10.1021/acs.jmedchem.3c01819 | Fibroblast growth factor receptor 2 | 3 |
| 38267212 | 10.1021/acs.jmedchem.3c01819 | Fibroblast growth factor receptor 3 | 3 |
| 38267212 | 10.1021/acs.jmedchem.3c01819 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine