Compound Detail
CHEMBL64122
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Basic Information
| ChEMBL ID | CHEMBL64122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFIHQZFZMWZOJV-HZJYTTRNSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.5
MW (Da)
5.29
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 2 CHEMBL2863 | IC50 | 5.92 | 5.79 | 1200.0 | 2 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 4.35 | 4.315 | 45000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 2 | IC50 | = | 1200.0 | nM | 5.92 | Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed ... | 30176215 |
| Transient receptor potential cation channel subfamily V member 2 | IC50 | = | 2200.0 | nM | 5.66 | Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed ... | 30176215 |
| Sterol O-acyltransferase 1 | IC50 | = | 45000.0 | nM | 4.35 | Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2 | 15261286 |
| Sterol O-acyltransferase 1 | IC50 | = | 53000.0 | nM | 4.28 | Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1 | 15261286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261286 | 10.1016/j.bmcl.2004.05.086 | Sterol O-acyltransferase 1 | 3 |
| 10450977 | 10.1016/s0960-894x(99)00330-3 | Sterol O-acyltransferase 1 | 2 |
| 30176215 | 10.1021/acs.jmedchem.8b00734 | Transient receptor potential cation channel subfamily V member 2 | 2 |
Data from ChEMBL 36 via Core Engine