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Compound Detail

CHEMBL1184521

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Cc1cc(C)[n+](Cc2ccc(S(N)(=O)=O)cc2)c(C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184521
Phase Preclinical
Structure Type MOL
InChI Key MRGDOUHBVUXFDS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.41
ALogP
2
HBA
1
HBD
64.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N2O2S+
MW 319.45
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine