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Compound Detail

CHEMBL1184114

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CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCOCCOCC[N+](CC)(CC)CC)cc2)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184114
Phase Preclinical
Structure Type MOL
InChI Key IKRBHWQIBMCLFI-LQFQNGICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

677.0
MW (Da)
5.95
ALogP
7
HBA
2
HBD
97.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H62N3O6S+
MW 676.98
Aromatic Rings 2
Heavy Atoms 47
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine