Compound Detail
CHEMBL461539
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Basic Information
| ChEMBL ID | CHEMBL461539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRHSFDPXTRFSMK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.84
ALogP
5
HBA
0
HBD
69.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Ki 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 3.4 | nM | 8.47 | Inhibition of rat FAAH | 18639454 |
| Diacylglycerol lipase-alpha | IC50 | = | 630.96 | nM | 6.2 | Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes us... | 26584396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18639454 | 10.1016/j.bmcl.2008.06.084 | Fatty-acid amide hydrolase 1 | 1 |
| 26584396 | 10.1021/acs.jmedchem.5b01627 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine