Compound Detail
CHEMBL1939829
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Basic Information
| ChEMBL ID | CHEMBL1939829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRBIJLJBIZNBSI-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.82
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 4.92 | 4.92 | 12000.0 | 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 | = | 12000.0 | nM | 4.92 | Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibit... | 22222037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22222037 | 10.1016/j.bmcl.2011.12.068 | Transient receptor potential cation channel subfamily A member 1 | 5 |
Data from ChEMBL 36 via Core Engine