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Compound Detail

CHEMBL41062

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

Basic Information

ChEMBL ID CHEMBL41062
Phase Preclinical
Structure Type MOL
InChI Key JKHKCEJCKANYSV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

541.0
MW (Da)
1.23
ALogP
8
HBA
3
HBD
142.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClN4O6S2
MW 541.05
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.56

Literature References

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

Data from ChEMBL 36 via Core Engine