Compound Detail
CHEMBL4847687
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4847687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSNHNDWDZPRWCO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
4
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
3.27
ALogP
6
HBA
1
HBD
83.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3879.22 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5587.06 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 31.0 | % | Rattus norvegicus |
| CL | 8.0 | % | Macaca fascicularis |
| F | 100.0 | % | Rattus norvegicus |
| F | 53.0 | % | Macaca fascicularis |
| T1/2 | 1.4 | hr | Rattus norvegicus |
| T1/2 | 7.9 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 29.0 | nM | 7.54 | Inhibition of phosphorylated FGFR2alpha in human KATO III stomach cancer cell li... | 34269576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34269576 | 10.1021/acs.jmedchem.1c00713 | ADMET | 10 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Unchecked | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | No relevant target | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine