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Compound Detail

CHEMBL4303584

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O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL4303584
Phase Preclinical
Structure Type MOL
InChI Key ZNLVYSJQUMALEO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

395.9
MW (Da)
2.75
ALogP
5
HBA
0
HBD
83.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18ClN3O4S
MW 395.87
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.16

Activity Summary

EC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 4
CHEMBL6126
EC50 6.11 6.11 770.0 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 EC50 = 770.0 nM 6.11 Agonist activity at mouse TRPV4 32063431

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
32063431 10.1016/j.bmcl.2020.127022 Transient receptor potential cation channel subfamily V member 4 1

Data from ChEMBL 36 via Core Engine