Compound Detail
CHEMBL5175256
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[2H]C([2H])([2H])NC(=O)c1cncc(-c2cnn3cc(-c4ccn(C(C)C)n4)c(N[C@H]4CCOC4)nc23)c1
Basic Information
| ChEMBL ID | CHEMBL5175256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGJBIMKIGAOMPJ-JBKGLDERSA-N |
| Parent Compound | CHEMBL5221518 |
| Active Moiety | CHEMBL5221518 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
2.80
ALogP
9
HBA
2
HBD
111.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.09 | 8.09 | 8.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of N-terminal His-Avi tagged recombinant human FGFR3 (447 to 761 resi... | 36356320 |
| Fibroblast growth factor receptor 2 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of N-terminal GST tagged recombinant human FGFR2 (400 to 821 residues... | 36356320 |
| Fibroblast growth factor receptor 1 | IC50 | = | 8.1 | nM | 8.09 | Inhibition of recombinant human FGFR1 using biotin-EQEDEPEGDYFEWLE-amide as subs... | 36356320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36356320 | 10.1021/acs.jmedchem.2c01366 | Fibroblast growth factor receptor 3 | 1 |
| 36356320 | 10.1021/acs.jmedchem.2c01366 | Fibroblast growth factor receptor 1 | 1 |
| 36356320 | 10.1021/acs.jmedchem.2c01366 | Fibroblast growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine