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Compound Detail

CHEMBL3558986

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NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(-[n+]3ccccc3)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558986
Phase Preclinical
Structure Type MOL
InChI Key LLBCQGONVAHWRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
0.26
ALogP
7
HBA
2
HBD
136.0
PSA (Ų)
0.59
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 C13H12N5O4S3+
MW 398.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.67

Data from ChEMBL 36 via Core Engine