Compound Detail
CHEMBL116533
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Basic Information
| ChEMBL ID | CHEMBL116533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTHXZOHZILOAFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
6.31
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, heart CHEMBL3344 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, heart | Ki | = | 32.0 | nM | 7.5 | Displacement of 1,8-ANS from mFABP by fluorescence based-assay | 17502136 |
| Fatty acid-binding protein, adipocyte | Ki | = | 58.0 | nM | 7.24 | Displacement of 1,8-ANS from aFABP by fluorescence based-assay | 17502136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1404230 | 10.1021/jm00097a006 | Unchecked | 1 |
| 7504734 | 10.1021/jm00076a018 | Homo sapiens | 1 |
| 17502136 | 10.1016/j.bmcl.2006.12.044 | Fatty acid-binding protein, adipocyte | 1 |
| 17502136 | 10.1016/j.bmcl.2006.12.044 | Fatty acid-binding protein 5 | 1 |
| 17502136 | 10.1016/j.bmcl.2006.12.044 | Fatty acid-binding protein, heart | 1 |
Data from ChEMBL 36 via Core Engine