Compound Detail
CHEMBL4454549
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Basic Information
| ChEMBL ID | CHEMBL4454549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDGFWVWZPIOXIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
1.59
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 3.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrotropin CHEMBL4523235 | Kd | 3.52 | 3.52 | 300000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrotropin | Kd | = | 300000.0 | nM | 3.52 | Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expre... | 27500412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27500412 | 10.1021/acs.jmedchem.6b00869 | Gastrotropin | 4 |
| 27500412 | 10.1021/acs.jmedchem.6b00869 | Fatty acid-binding protein, liver | 1 |
Data from ChEMBL 36 via Core Engine