Compound Detail
CHEMBL396698
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Basic Information
| ChEMBL ID | CHEMBL396698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMHLLIVOKPLPEQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
6.55
ALogP
4
HBA
1
HBD
64.3
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 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Fatty acid-binding protein 5 CHEMBL3674 | Ki | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, adipocyte | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP | 17502136 |
| Fatty acid-binding protein 5 | Ki | = | 830.0 | nM | 6.08 | Displacement of 1,8-ANS from eFABP 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 | 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