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

CHEMBL350432

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
CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL350432
Phase Preclinical
Structure Type MOL
InChI Key YQIGZMOUSYESEY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
1.92
ALogP
5
HBA
3
HBD
90.5
PSA (Ų)
0.66
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 C19H23ClN4O3S
MW 422.94
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.53

Activity Summary

IC50 2 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-1 adrenergic receptor
CHEMBL213
 IC50 5.96 5.96 1100.0 1
Beta-2 adrenergic receptor
CHEMBL2289
 IC50 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-1 adrenergic receptor IC50 = 1100.0 nM 5.96 Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalpreno... 1347318
Beta-2 adrenergic receptor IC50 = 3800.0 nM 5.42 Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalp... 1347318

Literature References

PubMed DOI Target Context # Activities
1347318 10.1021/jm00082a016 Canis familiaris 2
1347318 10.1021/jm00082a016 Beta-1 adrenergic receptor 1
1347318 10.1021/jm00082a016 Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine