Compound Detail
CHEMBL3585523
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Basic Information
| ChEMBL ID | CHEMBL3585523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKHOBBDASOWMSC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
4.21
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.02 | 6.02 | 960.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 960.0 | nM | 6.02 | Inhibition of Sprague-Dawley rat brain microsomal FAAH using N-(2-hydroxyethyl)-... | - |
| Fatty-acid amide hydrolase 1 | IC50 | = | 960.0 | nM | 6.02 | Inhibition of FAAH in rat brain microsomes assessed as reduction in enzyme-media... | 30108777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108777 | 10.1039/C6MD00683C | ADMET | 2 |
| - | 10.1039/C4MD00181H | Monoglyceride lipase | 1 |
| - | 10.1039/C4MD00181H | Fatty-acid amide hydrolase 1 | 1 |
| - | 10.1039/C4MD00181H | Unchecked | 1 |
| - | 10.1039/C4MD00181H | ADMET | 1 |
| - | 10.1039/C4MD00181H | Plasma | 1 |
| 30108777 | 10.1039/C6MD00683C | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine