Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL218892

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(NS(C)(=O)=O)cc(C)c1OC[C@H]1CCCN2CCCC[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218892
Phase Preclinical
Structure Type MOL
InChI Key KZUBCHUSOMKNKH-SJLPKXTDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.32
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.87
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 C19H30N2O3S
MW 366.53
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.55

Activity Summary

EC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 140.0 nM 6.85 Negative inotropic activity assessed as decrease in developed tension in isolate... 17228875

Literature References

PubMed DOI Target Context # Activities
17228875 10.1021/jm060878m NON-PROTEIN TARGET 4
17228875 10.1021/jm060878m Aorta 1

Data from ChEMBL 36 via Core Engine