Compound Detail
CHEMBL126078
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL126078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJDHJXKDDONHRM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
6.81
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 8.22 | 7.62 | 6.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | Ki | = | 6.0 | nM | 8.22 | Displacement of 1,8-ANS from aFABP by fluorescence based-assay | 17502136 |
| Fatty acid-binding protein, adipocyte | Ki | = | 95.0 | nM | 7.02 | Displacement of [3H]2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP | 17502136 |
| Homo sapiens | IC50 | = | 11100.0 | nM | 4.96 | In vitro inhibition of 5.86 uM ADP-induced human platelet aggregation in platele... | 7504734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502136 | 10.1016/j.bmcl.2006.12.044 | Fatty acid-binding protein, adipocyte | 2 |
| 7504734 | 10.1021/jm00076a018 | Homo sapiens | 1 |
| 17502136 | 10.1016/j.bmcl.2006.12.044 | Unchecked | 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