Compound Detail
CHEMBL456990
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CN1CCN(Cc2nc(Nc3ccc(C(F)(F)F)cc3)c3ccc(-c4ncccc4C(F)(F)F)cc3n2)CC1
Basic Information
| ChEMBL ID | CHEMBL456990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVRHNHQQIFTMRV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
546.5
MW (Da)
6.22
ALogP
6
HBA
1
HBD
57.2
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 7.21 | 7.21 | 62.0 | 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 | = | 62.0 | nM | 7.21 | Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-... | 18662872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18662872 | 10.1016/j.bmcl.2008.07.036 | No relevant target | 2 |
| 18662872 | 10.1016/j.bmcl.2008.07.036 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine