Compound Detail
CHEMBL245857
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
CC(C)Cn1c(-c2ccccc2-c2cccc(NCC(=O)O)c2)nc(-c2ccccc2)c1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL245857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRDBFNSHMWVDKD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
7.70
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | Ki | = | 130.0 | nM | 6.89 | Displacement of 1,8-ANS from aFABP by fluorescence based-assay | 17502136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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