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Compound Detail

CHEMBL41807

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NS(=O)(=O)c1cc(S(=O)(=O)N2CCN(CC(O)COc3cccc4c3CCC(=O)N4)CC2)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41807
Phase Preclinical
Structure Type MOL
InChI Key WKJMRXLRVMFDGH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

559.1
MW (Da)
0.62
ALogP
8
HBA
3
HBD
159.3
PSA (Ų)
0.42
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 C22H27ClN4O7S2
MW 559.07
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.59

Literature References

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

Data from ChEMBL 36 via Core Engine