Compound Detail
CHEMBL3753259
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Basic Information
| ChEMBL ID | CHEMBL3753259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEMXFQLBQPCKNI-BQYQJAHWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.78
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.79
IC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 4.79 | 4.79 | 16300.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 4.53 | 4.53 | 29400.0 | 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 | = | 16300.0 | nM | 4.79 | Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of... | 26750258 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 29400.0 | nM | 4.53 | Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibitio... | 26750258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26750258 | 10.1016/j.bmcl.2015.12.065 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 26750258 | 10.1016/j.bmcl.2015.12.065 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 29191502 | 10.1016/j.bmc.2017.11.027 | Prostaglandin G/H synthase 1 | 1 |
| 29191502 | 10.1016/j.bmc.2017.11.027 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine