Compound Detail
CHEMBL35165
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 | CHEMBL35165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHJJFPNIKJTIHZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.7
MW (Da)
4.33
ALogP
4
HBA
1
HBD
64.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-acyl-sn-glycerol-3-phosphate acyltransferase beta CHEMBL4772 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-acyl-sn-glycerol-3-phosphate acyltransferase beta | IC50 | = | 50.0 | nM | 7.3 | Inhibitory concentration against human lysophosphatidic acid acyltransferase-bet... | 15006381 |
| MCF7 | IC50 | = | 20000.0 | nM | 4.7 | In vitro inhibitory concentration of compound against proliferation of MCF-7 bre... | 15006381 |
| DU-145 | IC50 | = | 50000.0 | nM | 4.3 | In vitro inhibitory concentration of compound against proliferation of DU145 pro... | 15006381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15006381 | 10.1016/j.bmcl.2004.01.023 | 1-acyl-sn-glycerol-3-phosphate acyltransferase beta | 1 |
| 15006381 | 10.1016/j.bmcl.2004.01.023 | 1-acyl-sn-glycerol-3-phosphate acyltransferase alpha | 1 |
| 15006381 | 10.1016/j.bmcl.2004.01.023 | MCF7 | 1 |
| 15006381 | 10.1016/j.bmcl.2004.01.023 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine