Compound Detail
CHEMBL544196
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Basic Information
| ChEMBL ID | CHEMBL544196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZESVQBFAGYCRLK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192880 |
| Active Moiety | CHEMBL1192880 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
206.2
MW (Da)
0.54
ALogP
3
HBA
3
HBD
89.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WiDr CHEMBL614647 | Ki | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WiDr | Ki | = | 34000.0 | nM | 4.47 | Compound was tested for inhibition of 14C-Tryptophan uptake in WiDr human adenoc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80614-9 | WiDr | 1 |
Data from ChEMBL 36 via Core Engine