Compound Detail
CHEMBL473384
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL473384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGPKUACRBMPJLF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
15
PK Parameters
18
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.42
ALogP
6
HBA
2
HBD
110.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HuTu80 CHEMBL614582 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6129 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.3 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 0.78 | mL.min-1.kg-1 | marmosets |
| F | 72.0 | % | Rattus norvegicus |
| F | 100.0 | % | Canis lupus familiaris |
| F | 61.0 | % | marmosets |
| Fu | 0.0091 | - | Rattus norvegicus |
| Fu | 0.006 | - | Canis lupus familiaris |
| Fu | 0.01 | - | Homo sapiens |
| T1/2 | 7.0 | hr | Rattus norvegicus |
| T1/2 | 8.6 | hr | Canis lupus familiaris |
| T1/2 | 13.0 | hr | marmosets |
| T1/2 | 5.4 | hr | Rattus norvegicus |
| T1/2 | 9.9 | hr | Canis lupus familiaris |
| T1/2 | 9.5 | hr | marmosets |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HuTu80 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of triacylglycerol synthesis in human HuTu 80 cells after 30 mins | 19256504 |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of rat microsomal DGAT1 by liquid scintillography | 19256504 |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillo... | 19256504 |
| Sterol O-acyltransferase 1 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of human ACAT1 at 10 uM by liquid scintillography | 19256504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19256504 | 10.1021/jm801507v | Rattus norvegicus | 11 |
| 19256504 | 10.1021/jm801507v | ADMET | 6 |
| 19256504 | 10.1021/jm801507v | marmosets | 5 |
| 19256504 | 10.1021/jm801507v | Canis familiaris | 5 |
| 19256504 | 10.1021/jm801507v | Plasma | 3 |
| 19256504 | 10.1021/jm801507v | MDCK | 2 |
| 19256504 | 10.1021/jm801507v | Hepatocyte | 2 |
| 19256504 | 10.1021/jm801507v | No relevant target | 2 |
| 19256504 | 10.1021/jm801507v | Diacylglycerol O-acyltransferase 1 | 2 |
| 19256504 | 10.1021/jm801507v | Diacylglycerol O-acyltransferase 2 | 1 |
| 19256504 | 10.1021/jm801507v | Sterol O-acyltransferase 1 | 1 |
| 19256504 | 10.1021/jm801507v | HuTu80 | 1 |
| 19256504 | 10.1021/jm801507v | Cytochrome P450 3A4 | 1 |
| 19256504 | 10.1021/jm801507v | Cytochrome P450 2D6 | 1 |
| 19256504 | 10.1021/jm801507v | Mus musculus | 1 |
| 19256504 | 10.1021/jm801507v | Cytochrome P450 2C19 | 1 |
| 19256504 | 10.1021/jm801507v | Cytochrome P450 2C9 | 1 |
| 19256504 | 10.1021/jm801507v | Cytochrome P450 1A2 | 1 |
Data from ChEMBL 36 via Core Engine