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

CHEMBL40882

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
NS(=O)(=O)c1cc(S(=O)(=O)N2CCN(CC(O)COc3cccc4c3SCC(=O)N4)CC2)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40882
Phase Preclinical
Structure Type MOL
InChI Key GBAMRDVVSRTBPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

577.1
MW (Da)
0.78
ALogP
9
HBA
3
HBD
159.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClN4O7S3
MW 577.11
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
8093626 10.1021/jm00053a020 Beta-1 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine