Compound Detail
CHEMBL589866
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Basic Information
| ChEMBL ID | CHEMBL589866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBWYAIBGBKNUCN-LFCMRJNSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
181.6
MW (Da)
2.81
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 5.03 | 5.03 | 9400.0 | 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 | = | 9400.0 | nM | 5.03 | Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ i... | 19945872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19945872 | 10.1016/j.bmcl.2009.10.113 | Transient receptor potential cation channel subfamily A member 1 | 2 |
Data from ChEMBL 36 via Core Engine