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Compound Detail

CHEMBL84357

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Nc1ccc(-c2cccs2)n[n+]1CCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL84357
Phase Preclinical
Structure Type MOL
InChI Key OEXJDOMNKMUMAE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
1.54
ALogP
4
HBA
2
HBD
80.1
PSA (Ų)
0.80
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 C12H14N3O2S+
MW 264.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine