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Compound Detail

CHEMBL1181686

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Cc1cc(C)[n+](Cc2ccc(S(N)(=O)=O)cc2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181686
Phase Preclinical
Structure Type MOL
InChI Key SLGYDVANGCGVEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
1.60
ALogP
2
HBA
1
HBD
64.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N2O2S+
MW 291.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine