Compound Detail
CHEMBL2042394
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CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL2042394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXKITFISSUACPQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
572.8
MW (Da)
4.83
ALogP
6
HBA
2
HBD
108.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
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 | = | 7000.0 | nM | 5.16 | Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 ... | 22169633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22169633 | 10.1016/j.bmc.2011.11.008 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine