Compound Detail
CHEMBL306107
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Basic Information
| ChEMBL ID | CHEMBL306107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQGXEHFFOCIEIQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
4.78
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-acyl-sn-glycerol-3-phosphate acyltransferase beta CHEMBL4772 | IC50 | 7.27 | 7.27 | 54.0 | 2 |
| K562 CHEMBL385 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 6.3 | 6.3 | 500.0 | 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 | = | 54.0 | nM | 7.27 | Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed... | 15081029 |
| 1-acyl-sn-glycerol-3-phosphate acyltransferase beta | IC50 | = | 54.0 | nM | 7.27 | Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme ov... | 16143520 |
| K562 | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibitory activity against K-562 cell line proliferation | 15081029 |
| DU-145 | IC50 | = | 500.0 | nM | 6.3 | In vitro inhibitory activity against DU 145 cell line proliferation | 15081029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081029 | 10.1016/j.bmcl.2004.01.104 | 1-acyl-sn-glycerol-3-phosphate acyltransferase beta | 1 |
| 15081029 | 10.1016/j.bmcl.2004.01.104 | K562 | 1 |
| 15081029 | 10.1016/j.bmcl.2004.01.104 | DU-145 | 1 |
| 16143520 | 10.1016/j.bmcl.2005.07.055 | 1-acyl-sn-glycerol-3-phosphate acyltransferase beta | 1 |
Data from ChEMBL 36 via Core Engine