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Compound Detail

CHEMBL483201

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NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483201
Phase Preclinical
Structure Type MOL
InChI Key GBTODAKMABNGIJ-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
2.75
ALogP
7
HBA
5
HBD
142.1
PSA (Ų)
0.21
QED
0
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H38N2O6S
MW 494.65
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
19317397 10.1021/jm801016j ADMET 2
19317397 10.1021/jm801016j Beta-1 adrenergic receptor 2
19317397 10.1021/jm801016j No relevant target 1

Data from ChEMBL 36 via Core Engine