Compound Detail
CHEMBL72618
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Basic Information
| ChEMBL ID | CHEMBL72618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPDOMZQXGYLEKW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.3
MW (Da)
4.83
ALogP
6
HBA
2
HBD
90.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-acyl-sn-glycerol-3-phosphate acyltransferase beta CHEMBL4772 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| K562 CHEMBL385 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 7.05 | 7.05 | 90.0 | 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 | = | 34.0 | nM | 7.47 | Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed... | 15081029 |
| K562 | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibitory activity against K-562 cell line proliferation | 15081029 |
| DU-145 | IC50 | = | 90.0 | nM | 7.05 | 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 |
Data from ChEMBL 36 via Core Engine