Compound Detail
CHEMBL5179535
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Basic Information
| ChEMBL ID | CHEMBL5179535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDVOZBCJUVAIMF-OAQYLSRUSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
3.55
ALogP
7
HBA
2
HBD
113.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 CHEMBL5853 | IC50 | 7.04 | 7.04 | 91.6 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 91.8 | nM | 7.04 | Inhibition of DGAT2 (unknown origin) | 36322383 |
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 91.6 | nM | 7.04 | In Vitro DGAT2 Assay: For determination of IC50 values, the reactions were carri... | - |
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 91.6 | nM | 7.04 | In Vitro DGAT2 Assay : For determination of IC50 values, the reactions were carr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36322383 | 10.1021/acs.jmedchem.2c01200 | ADMET | 3 |
| 36322383 | 10.1021/acs.jmedchem.2c01200 | Diacylglycerol O-acyltransferase 2 | 1 |
| 36322383 | 10.1021/acs.jmedchem.2c01200 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine