Compound Detail
CHEMBL4096902
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Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CN(c4ncc(C#N)cn4)C5)cn3)n2)s1
Basic Information
| ChEMBL ID | CHEMBL4096902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRIVVPJOFYYUKP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
4.18
ALogP
11
HBA
1
HBD
123.8
PSA (Ų)
0.41
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 9.74 | 9.74 | 0.2 | 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 | = | 0.18 | nM | 9.74 | Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed... | 28284871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28284871 | 10.1016/j.bmc.2017.02.047 | Transient receptor potential cation channel subfamily V member 4 | 1 |
| 28284871 | 10.1016/j.bmc.2017.02.047 | Liver | 1 |
Data from ChEMBL 36 via Core Engine