Compound Detail
CHEMBL267538
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CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3NS(=O)(=O)Cc3ccccc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL267538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXBYYUCAEWRQSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
6.24
ALogP
4
HBA
2
HBD
88.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 6.8 | 6.8 | 159.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 6.42 | 6.42 | 377.0 | 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 | IC50 | = | 159.0 | nM | 6.8 | Antagonist activity against low pH(5.0-5.5)-activated rat VR1 | 16870426 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 377.0 | nM | 6.42 | Antagonist activity against capsaicin-activated human VR1 by FLIPR assay | 16870426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870426 | 10.1016/j.bmcl.2006.07.010 | Transient receptor potential cation channel subfamily V member 1 | 2 |
Data from ChEMBL 36 via Core Engine