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Compound Detail

CHEMBL1183834

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Cc1cc(C)[n+](CC(=O)/N=c2/sc(S(N)(=O)=O)nn2C)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183834
Phase Preclinical
Structure Type MOL
InChI Key REHKSSWTMGTLOE-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
-0.53
ALogP
6
HBA
1
HBD
111.3
PSA (Ų)
0.75
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 C13H18N5O3S2+
MW 356.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.31

Data from ChEMBL 36 via Core Engine