Compound Detail
CHEMBL1076350
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1076350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZBVCRHOVMWXFJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.2
MW (Da)
3.71
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.22
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 6.22 | 6.22 | 600.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 5.19 | 5.19 | 6440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 600.0 | nM | 6.22 | Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as decreas... | 19875281 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 600.0 | nM | 6.22 | Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as in... | 20356305 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 6440.0 | nM | 5.19 | Inhibition of FAAH-mediated hydrolysis of [3H]AEA in rat brain membrane | 19875281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19875281 | 10.1016/j.bmcl.2009.09.033 | Fatty-acid amide hydrolase 1 | 2 |
| 19875281 | 10.1016/j.bmcl.2009.09.033 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 19875281 | 10.1016/j.bmcl.2009.09.033 | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 20356305 | 10.1021/jm100062h | Transient receptor potential cation channel subfamily A member 1 | 1 |
Data from ChEMBL 36 via Core Engine