Compound Detail
CHEMBL4632531
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CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4632531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOLAVWPLWAXOOZ-GOTSBHOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
586.7
MW (Da)
2.06
ALogP
7
HBA
3
HBD
136.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 CHEMBL6126 | EC50 | 9.3 | 9.3 | 0.5 | 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 4 | EC50 | = | 0.5 | nM | 9.3 | Agonist activity at mouse TRPV4 | 32063431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32063431 | 10.1016/j.bmcl.2020.127022 | Transient receptor potential cation channel subfamily V member 4 | 1 |
Data from ChEMBL 36 via Core Engine