Compound Detail
CHEMBL247298
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Basic Information
| ChEMBL ID | CHEMBL247298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZFRHJXGOFXNIG-BGVJATAGSA-N |
| Parent Compound | CHEMBL1908862 |
| Active Moiety | CHEMBL1908862 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.1
MW (Da)
7.16
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Kd 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Fatty acid-binding protein 5 CHEMBL3674 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Fatty acid-binding protein, heart CHEMBL3344 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Kd | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein 5 | Ki | = | 2.0 | nM | 8.7 | Displacement of 1,8-ANS from eFABP by fluorescence based-assay | 17502136 |
| Fatty acid-binding protein, adipocyte | Ki | = | 2.0 | nM | 8.7 | Displacement of 1,8-ANS from aFABP by fluorescence based-assay | 17502136 |
| Fatty acid-binding protein, heart | Ki | = | 4.0 | nM | 8.4 | Displacement of 1,8-ANS from mFABP by fluorescence based-assay | 17502136 |
| Fatty acid-binding protein, adipocyte | Kd | = | 21.0 | nM | 7.68 | Binding affinity to aFABP | 17502136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502136 | 10.1016/j.bmcl.2006.12.044 | Fatty acid-binding protein, adipocyte | 2 |
| 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