Compound Detail
CHEMBL195877
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Basic Information
| ChEMBL ID | CHEMBL195877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXKPMXKEYHOACC-MDWZMJQESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
4.65
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.64 | 6.64 | 229.1 | 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 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of capsaicin-induced calcium uptake by transient receptor potential v... | 15634002 |
| Unchecked | IC50 | = | 230.0 | nM | 6.64 | Inhibition of rat human chimera TRPV1 channel expressed in CHO cells | 17948977 |
| Unchecked | IC50 | = | 229.09 | nM | 6.64 | Inhibition of rat human chimera TRPV1 channel expressed in CHO cells | 17948977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634002 | 10.1021/jm049485i | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 17948977 | 10.1021/jm070261k | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine