Compound Detail
CHEMBL4453093
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N#Cc1ccc(S(=O)(=O)N2C[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@](O)(CO)C2)cn1
Basic Information
| ChEMBL ID | CHEMBL4453093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAZGSEGOZOPJER-DLBZAZTESA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.9
MW (Da)
0.18
ALogP
8
HBA
2
HBD
148.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 22.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.2 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 62.0 | % | Rattus norvegicus |
| MRT | 3.0 | hr | Rattus norvegicus |
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 | = | 631.0 | nM | 6.2 | Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibi... | 30500190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30500190 | 10.1021/acs.jmedchem.8b01344 | ADMET | 5 |
| 30500190 | 10.1021/acs.jmedchem.8b01344 | Transient receptor potential cation channel subfamily V member 4 | 1 |
Data from ChEMBL 36 via Core Engine