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Compound Detail

CHEMBL384633

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O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccsc1)S(=O)(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL384633
Phase Preclinical
Structure Type MOL
InChI Key WBDPKRHKIIOXAG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
4.63
ALogP
5
HBA
0
HBD
71.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13Cl2NO4S3
MW 462.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.54

Activity Summary

EC50 1 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
 EC50 5.59 5.59 2550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus EC50 = 2550.0 nM 5.59 Negative inotropic activity in guinea pig left atrium 16913709

Literature References

PubMed DOI Target Context # Activities
16913709 10.1021/jm0604373 Cavia porcellus 4

Data from ChEMBL 36 via Core Engine