Compound Detail
CHEMBL4796516
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O=c1ccc(CN2CCN([C@H]3CC[C@@H](c4cccc(C(F)(F)F)c4)CC3)CC2)c[nH]1
Basic Information
| ChEMBL ID | CHEMBL4796516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMSJDEOGYRYVRN-RVWIWJKTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
4.24
ALogP
3
HBA
1
HBD
39.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 6 CHEMBL1628465 | IC50 | 7.19 | 7.19 | 64.0 | 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 6 | IC50 | = | 64.0 | nM | 7.19 | Inhibition of human TRPV6 expressed in HEK293 cells assessed as reduction in Cd2... | 33479695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479695 | 10.1039/d0md00145g | Transient receptor potential cation channel subfamily V member 6 | 1 |
Data from ChEMBL 36 via Core Engine