Compound Detail
CHEMBL4129132
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COc1cc(C(C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(F)c1NS(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL4129132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFSZKAHYIGZQBL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
4.28
ALogP
6
HBA
2
HBD
100.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 9.52 | 9.52 | 0.3 | 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 | = | 0.3 | nM | 9.52 | Antagonist activity at recombinant human TRPV1 expressed in CHOK1 cells assessed... | 29884534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29884534 | 10.1016/j.bmcl.2018.05.043 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine