Compound Detail
CHEMBL1276942
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CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(O)c(Br)c1)Cc1ccc(C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL1276942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQJNADGOWUASQB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
597.4
MW (Da)
6.32
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 7.97 | 7.835 | 10.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 10.7 | nM | 7.97 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... | 20937561 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 20.2 | nM | 7.7 | Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells | 20937561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20937561 | 10.1016/j.bmc.2010.09.001 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine