Compound Detail
CHEMBL4104743
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CCOc1ccc2c(C(=O)NC3(c4ccccc4)CC3)c(CN3CCC(N4CCCCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL4104743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBYUTSMEYSWTJV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
656.8
MW (Da)
8.19
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 CHEMBL2775 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 7.1 | 7.1 | 80.0 | 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 4 | IC50 | = | 1.6 | nM | 8.8 | Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibitio... | 28523109 |
| Transient receptor potential cation channel subfamily V member 4 | IC50 | = | 80.0 | nM | 7.1 | Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibit... | 28523109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28523109 | 10.1021/acsmedchemlett.7b00094 | Transient receptor potential cation channel subfamily V member 4 | 2 |
Data from ChEMBL 36 via Core Engine