Compound Detail
CHEMBL410933
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O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCSCC5)cc4)cc3)o2)n1
Basic Information
| ChEMBL ID | CHEMBL410933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZFLZSAOYVIKAK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
5.47
ALogP
7
HBA
1
HBD
96.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 28.0 | nM | 7.55 | Inhibition of rat recombinant FAAH expressed in Escherichia coli | 18247553 |
| Fatty-acid amide hydrolase 1 | Ki | = | 28.0 | nM | 7.55 | Inhibition of FAAH at pH 9 | 18644727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18644727 | 10.1016/j.bmcl.2008.06.086 | Fatty-acid amide hydrolase 1 | 2 |
| 18247553 | 10.1021/jm701210y | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine