Compound Detail
CHEMBL2207809
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O=C(NC[C@@H]1CCCO1)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL2207809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDAPSCDGXFXAHJ-GQEVMLRWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
5.52
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6129 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 9500.0 | nM | 5.02 | 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