Compound Detail
CHEMBL231520
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O=C(NCc1ccc(N2[C@@H]3CCC[C@H]2CC3)cc1C(F)(F)F)Nc1cccc2[nH]ncc12
Basic Information
| ChEMBL ID | CHEMBL231520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGOIAAUCCRMOEG-IYBDPMFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.42
ALogP
3
HBA
3
HBD
73.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 7.26 | 7.26 | 54.5 | 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 | = | 54.5 | nM | 7.26 | Antagonist activity at human TRPV1 receptor by calcium influx assay | 17583335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17583335 | 10.1021/jm070276i | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine