Compound Detail
CHEMBL5203547
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CC(n1c(=O)n(-c2cc(OC(F)F)ccc2F)c2ccc(C(=O)NC3(C)CS(=O)(=O)C3)cc21)C(C)(C)O
Basic Information
| ChEMBL ID | CHEMBL5203547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSPAFQBOWPGDDB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.5
MW (Da)
2.78
ALogP
8
HBA
2
HBD
119.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 CHEMBL5853 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of human DGAT2 expressed in sf9 insect cell membrane assessed as redu... | 35928852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35928852 | 10.1021/acsmedchemlett.2c00247 | Diacylglycerol O-acyltransferase 2 | 1 |
Data from ChEMBL 36 via Core Engine