Compound Detail
CHEMBL473511
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Basic Information
| ChEMBL ID | CHEMBL473511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDHQVIDRFGTHFA-QXMHVHEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
7.39
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.08
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha | IC50 | = | 160.0 | nM | 6.8 | Inhibition of human DAGLalpha | 22738638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18657971 | 10.1016/j.bmcl.2008.06.091 | Fatty-acid amide hydrolase 1 | 1 |
| 18657971 | 10.1016/j.bmcl.2008.06.091 | Neutral cholesterol ester hydrolase 1 | 1 |
| 18657971 | 10.1016/j.bmcl.2008.06.091 | Monoglyceride lipase | 1 |
| 18657971 | 10.1016/j.bmcl.2008.06.091 | Monoacylglycerol lipase ABHD6 | 1 |
| 18657971 | 10.1016/j.bmcl.2008.06.091 | Lysophosphatidylserine lipase ABHD12 | 1 |
| 18657971 | 10.1016/j.bmcl.2008.06.091 | Phosphatidylserine lipase ABHD16A | 1 |
| 22738638 | 10.1016/j.bmcl.2012.05.101 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine