Compound Detail
CHEMBL37089
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Basic Information
| ChEMBL ID | CHEMBL37089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOXXZIGMLCYDKG-ZKWNWVNESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.7
MW (Da)
7.94
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of fatty acid amide hydrolase (FAAH) was determined using rat brain h... | 12672252 |
| Homo sapiens | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of [3H]anandamide transport(ANT) in human lymphoma U937 cell | 12672252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672252 | 10.1021/jm0210818 | Homo sapiens | 2 |
| 12672252 | 10.1021/jm0210818 | Fatty-acid amide hydrolase 1 | 2 |
| 12672252 | 10.1021/jm0210818 | Cannabinoid receptor 1 | 1 |
| 12672252 | 10.1021/jm0210818 | Cannabinoid receptor 2 | 1 |
| 12672252 | 10.1021/jm0210818 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine