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Compound Detail

CHEMBL1183841

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CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183841
Phase Preclinical
Structure Type MOL
InChI Key BWLCUVDSGZQBCA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

579.7
MW (Da)
3.85
ALogP
5
HBA
3
HBD
139.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N4O5S2+
MW 579.72
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.35

Data from ChEMBL 36 via Core Engine