Compound Detail
CHEMBL108541
TRINITROPHENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL108541 |
| Name | TRINITROPHENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXNIZHLAWKMVMX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
3
Known Names
Molecular Properties
229.1
MW (Da)
1.12
ALogP
7
HBA
1
HBD
149.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 3 meas. best 4.52
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL1075310 | EC50 | 4.52 | 4.52 | 30200.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 4.15 | 4.15 | 71200.0 | 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 | = | 30200.0 | nM | 4.52 | Agonist activity at full length mouse TRPA1 transfected in HEK293F cells assesse... | 22319196 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 71200.0 | nM | 4.15 | Agonist activity at full length rat TRPA1 transfected in HEK293F cells assessed ... | 22319196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22319196 | 10.1124/jpet.111.189902 | Transient receptor potential cation channel subfamily A member 1 | 8 |
| 6802973 | 10.1021/jm00345a016 | No relevant target | 3 |
| 6802973 | 10.1021/jm00345a016 | Bacillus subtilis | 2 |
Data from ChEMBL 36 via Core Engine