Compound Detail
CHEMBL3814575
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Basic Information
| ChEMBL ID | CHEMBL3814575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTCPSZSCIMRYND-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
6.33
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 6.92 | 6.92 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | Ki | = | 120.0 | nM | 6.92 | Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia ... | 27096055 |
| Fatty acid-binding protein, adipocyte | Ki | = | 120.0 | nM | 6.92 | Binding affinity to FABP4 (unknown origin) assessed as inhibition constant | 28738306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27096055 | 10.1021/acsmedchemlett.6b00040 | Fatty acid-binding protein, adipocyte | 2 |
| 28738306 | 10.1016/j.ejmech.2017.07.022 | Fatty acid-binding protein, adipocyte | 1 |
Data from ChEMBL 36 via Core Engine