Compound Detail
CHEMBL2178369
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Cc1nc(C)c(-c2ccc3c(c2)CC[C@]32CC[C@@H](Cc3nnn[nH]3)CC2)nc1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2178369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYUVHHFBAIAIHW-CWSKOGRWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
2.99
ALogP
6
HBA
2
HBD
123.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillo... | 23116186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 23116186 | 10.1021/jm301296t | No relevant target | 1 |
| 23116186 | 10.1021/jm301296t | Diacylglycerol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine