Compound Detail
CHEMBL3828508
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Basic Information
| ChEMBL ID | CHEMBL3828508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBDYSHXIVYPQCI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
372.3
MW (Da)
4.06
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.54
Kd 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Fatty acid-binding protein, heart CHEMBL3344 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Kd | 5.58 | 5.58 | 2650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | Ki | = | 290.0 | nM | 6.54 | Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Esc... | 27460668 |
| Fatty acid-binding protein, heart | Ki | = | 1300.0 | nM | 5.89 | Displacement of 1,8-ANS from His6-tagged FABP3 (unknown origin) expressed in Esc... | 27460668 |
| Fatty acid-binding protein, adipocyte | Kd | = | 2650.0 | nM | 5.58 | Direct binding to His6-tagged FABP4 (unknown origin) expressed in Escherichia co... | 27460668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27460668 | 10.1016/j.bmc.2016.07.022 | Fatty acid-binding protein, adipocyte | 7 |
| 27460668 | 10.1016/j.bmc.2016.07.022 | Fatty acid-binding protein, heart | 3 |
| 27460668 | 10.1016/j.bmc.2016.07.022 | Unchecked | 3 |
| 27460668 | 10.1016/j.bmc.2016.07.022 | Fatty acid-binding protein, liver | 1 |
| 27460668 | 10.1016/j.bmc.2016.07.022 | Fatty acid-binding protein, intestinal | 1 |
| 27460668 | 10.1016/j.bmc.2016.07.022 | Fatty acid-binding protein 5 | 1 |
| 27460668 | 10.1016/j.bmc.2016.07.022 | Fatty acid-binding protein, brain | 1 |
| 27460668 | 10.1016/j.bmc.2016.07.022 | Myelin P2 protein | 1 |
| 27460668 | 10.1016/j.bmc.2016.07.022 | Fatty acid-binding protein 9 | 1 |
Data from ChEMBL 36 via Core Engine