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Compound Detail

CHEMBL41373

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NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41373
Phase Preclinical
Structure Type MOL
InChI Key ZKQKHLMBOILRNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.0
MW (Da)
1.31
ALogP
7
HBA
5
HBD
142.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25ClN4O5S
MW 468.96
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.20

Literature References

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

Data from ChEMBL 36 via Core Engine