Compound Detail
CHEMBL5564125
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Basic Information
| ChEMBL ID | CHEMBL5564125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROGDVBDDECNNFE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.2
MW (Da)
6.10
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.72
Ki 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, heart CHEMBL3344 | Ki | 8.29 | 8.29 | 5.2 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Kd | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, heart | Ki | = | 5.18 | nM | 8.29 | Displacement of 1,8-ANS from N-terminal 6His-tagged full length FABP3 (unknown o... | 38043490 |
| Fatty acid-binding protein, adipocyte | Kd | = | 19.0 | nM | 7.72 | Binding affinity to N-terminal 6His-tagged full length FABP4 (unknown origin) ex... | 38043490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38043490 | 10.1016/j.ejmech.2023.115984 | Fatty acid-binding protein, adipocyte | 1 |
| 38043490 | 10.1016/j.ejmech.2023.115984 | Fatty acid-binding protein, heart | 1 |
| 38043490 | 10.1016/j.ejmech.2023.115984 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine