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Compound Detail

CHEMBL1184756

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CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184756
Phase Preclinical
Structure Type MOL
InChI Key FTEWECZEBBXKSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
5.54
ALogP
2
HBA
1
HBD
64.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N2O2S+
MW 471.65
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine