Compound Detail
CHEMBL2207807
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Cc1ccc(CNC(=O)c2ccc3[nH]c(COc4ccc(C56CC7CC(CC(C7)C5)C6)cc4)nc3c2)o1
Basic Information
| ChEMBL ID | CHEMBL2207807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFNMGXBMQVBSQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
6.44
ALogP
4
HBA
2
HBD
80.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6129 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 11400.0 | nM | 4.94 | Inhibition of DGAT in rat liver microsomes | 23141914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23141914 | 10.1016/j.bmcl.2012.10.046 | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine