Compound Detail
CHEMBL5820726
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Basic Information
| ChEMBL ID | CHEMBL5820726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTOHOBLRYXATBZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.30
ALogP
6
HBA
2
HBD
105.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein 5 CHEMBL3674 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein 5 | IC50 | = | 10.0 | nM | 8.0 | Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay: Compounds were profi... | - |
| Fatty acid-binding protein, adipocyte | IC50 | = | 20.0 | nM | 7.7 | Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay: Compounds were profi... | - |
Data from ChEMBL 36 via Core Engine