Compound Detail
CHEMBL188621
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Basic Information
| ChEMBL ID | CHEMBL188621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTNAWFANMYDGNT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
4.37
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 5.66 | 5.37 | 2170.0 | 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 | = | 2170.0 | nM | 5.66 | In vitro inhibition of [3H]RTX binding to rat TRPV1 expressed in CHO cells | 15993063 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 8400.0 | nM | 5.08 | Antagonist activity towards rat TRPV1 expressed in CHO cells | 15993063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993063 | 10.1016/j.bmcl.2005.06.006 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine