Compound Detail
CHEMBL4866175
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Basic Information
| ChEMBL ID | CHEMBL4866175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWUXGIIIVVMXNV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
9
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.97
ALogP
4
HBA
1
HBD
70.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1481.44 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 392.38 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 21.0 | % | Macaca fascicularis |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 31.0 | % | Rattus norvegicus |
| F | 72.0 | % | Rattus norvegicus |
| F | 12.0 | % | Macaca fascicularis |
| T1/2 | 0.9 | hr | Rattus norvegicus |
| T1/2 | 1.1 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | 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 | 12 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Unchecked | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine