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Compound Detail

CHEMBL1184115

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CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NC(=O)CCCC[N+](CC)(CC)CC)c2)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184115
Phase Preclinical
Structure Type MOL
InChI Key XWCZKGRAQFTZBN-VSJLXWSYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

644.0
MW (Da)
6.64
ALogP
5
HBA
3
HBD
98.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H59N4O4S+
MW 643.96
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine