Compound Detail
CHEMBL1766808
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O=C(Nc1ccc(C2CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1766808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVNKQIPSGBJKDN-MXVIHJGJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
5.60
ALogP
6
HBA
2
HBD
125.6
PSA (Ų)
0.39
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.63
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 6.89 | 6.89 | 128.0 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | EC50 | 5.63 | 5.63 | 2363.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 128.0 | nM | 6.89 | Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1... | 21413799 |
| Diacylglycerol O-acyltransferase 1 | EC50 | = | 2363.0 | nM | 5.63 | Inhibition of human DGAT1 expressed in CHO-K1 cells after 1 hr using palmitoyl-1... | 21413799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21413799 | 10.1021/jm101580m | Diacylglycerol O-acyltransferase 1 | 2 |
| 21413799 | 10.1021/jm101580m | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine