Compound Detail
CHEMBL3827693
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Basic Information
| ChEMBL ID | CHEMBL3827693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APUIWSSQICBQCY-DIBXZPPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.3
MW (Da)
4.98
ALogP
5
HBA
3
HBD
107.9
PSA (Ų)
0.20
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | Ki | = | 10300.0 | nM | 4.99 | Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Esc... | 27460668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27460668 | 10.1016/j.bmc.2016.07.022 | Fatty acid-binding protein, adipocyte | 3 |
Data from ChEMBL 36 via Core Engine