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

CHEMBL40599

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(N2CCN(CC(O)COc3cccc4c3CCC(=O)N4)CC2)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40599
Phase Preclinical
Structure Type MOL
InChI Key HNDXPQRTWBTPFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.0
MW (Da)
1.43
ALogP
7
HBA
3
HBD
125.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27ClN4O5S
MW 495.00
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.42

Literature References

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

Data from ChEMBL 36 via Core Engine