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Compound Detail

CHEMBL1184546

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Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184546
Phase Preclinical
Structure Type MOL
InChI Key NGASSBVQGNZOML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.6
MW (Da)
4.51
ALogP
2
HBA
1
HBD
64.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N2O2S+
MW 429.57
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine