Compound Detail
CHEMBL5570727
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C=CC(=O)N1C[C@@H](n2nc(C#Cc3ccc4c(c3)ncn4C(C)(C)C)c(C(N)=O)c2NC)C[C@@H]1COC
Basic Information
| ChEMBL ID | CHEMBL5570727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMUWQHVFXRNAMW-RBUKOAKNSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
2.50
ALogP
8
HBA
2
HBD
120.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.47 | 7.785 | 3.4 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.85 | 7.85 | 14.1 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 6.54 | 6.54 | 288.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 3.4 | nM | 8.47 | Inhibition of wild type FGFR2 (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 pep... | 38267212 |
| Fibroblast growth factor receptor 1 | IC50 | = | 14.1 | nM | 7.85 | Inhibition of wild type FGFR1 (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 pep... | 38267212 |
| Fibroblast growth factor receptor 2 | IC50 | = | 79.4 | nM | 7.1 | Inhibition of FGFR2 V564F mutant (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 ... | 38267212 |
| Fibroblast growth factor receptor 3 | IC50 | = | 288.7 | nM | 6.54 | Inhibition of FGFR3 V555M 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