Compound Detail
CHEMBL4516367
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Basic Information
| ChEMBL ID | CHEMBL4516367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INBHLTYBRKASIZ-JXMROGBWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.74
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 4.4 | 4.385 | 39810.7 | 2 |
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 | IC50 | = | 39810.72 | nM | 4.4 | Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibit... | 30878828 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 43000.0 | nM | 4.37 | Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibit... | 30878828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30878828 | 10.1016/j.ejmech.2019.02.074 | Transient receptor potential cation channel subfamily A member 1 | 7 |
| 30878828 | 10.1016/j.ejmech.2019.02.074 | Transient receptor potential cation channel subfamily M member 8 | 5 |
| 30878828 | 10.1016/j.ejmech.2019.02.074 | Unchecked | 2 |
| 30878828 | 10.1016/j.ejmech.2019.02.074 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine