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Compound Detail

CHEMBL1182755

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Cc1cc(C)[n+](-c2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182755
Phase Preclinical
Structure Type MOL
InChI Key STDKUMSDTHTDBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
1.19
ALogP
7
HBA
2
HBD
136.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N5O4S3+
MW 440.55
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.61

Data from ChEMBL 36 via Core Engine