Compound Detail
CHEMBL5172121
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Basic Information
| ChEMBL ID | CHEMBL5172121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCVQDAVSKDENJO-SFHVURJKSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
2.59
ALogP
9
HBA
1
HBD
108.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL4066 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 16.67 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 2.6 | nM | 8.59 | Inhibition of N-terminal His-Avi tagged recombinant human FGFR3 (447 to 761 resi... | 36356320 |
| Fibroblast growth factor receptor 3 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of TEL-FGFR3 in mouse BaF3 cells incubated for 125 mins by plate read... | 36356320 |
| Fibroblast growth factor receptor 1 | IC50 | = | 54.0 | nM | 7.27 | 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 | 2 |
| 36356320 | 10.1021/acs.jmedchem.2c01366 | ADMET | 2 |
| 36356320 | 10.1021/acs.jmedchem.2c01366 | Fibroblast growth factor receptor 1 | 1 |
| 36356320 | 10.1021/acs.jmedchem.2c01366 | Cytochrome P450 3A4 | 1 |
| 36356320 | 10.1021/acs.jmedchem.2c01366 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine