Compound Detail
CHEMBL2178938
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CC(C)(NC(=O)C[C@H]1CC[C@H](c2ccc(-c3cncc(C(N)=O)n3)cc2)CC1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2178938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIJJTONMLUUZEV-SHTZXODSSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
2.89
ALogP
5
HBA
3
HBD
135.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | - | % | Rattus norvegicus |
| Fu | - | - | Homo sapiens |
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillo... | 23116186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23116186 | 10.1021/jm301296t | Rattus norvegicus | 2 |
| 23116186 | 10.1021/jm301296t | No relevant target | 2 |
| 23116186 | 10.1021/jm301296t | MDCK | 1 |
| 23116186 | 10.1021/jm301296t | Hepatocyte | 1 |
| 23116186 | 10.1021/jm301296t | Plasma | 1 |
| 23116186 | 10.1021/jm301296t | Sterol O-acyltransferase 1 | 1 |
| 23116186 | 10.1021/jm301296t | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine