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Compound Detail

CHEMBL1619212

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Cc1ccc(-c2nc(N)s[n+]2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1619212
Phase Preclinical
Structure Type MOL
InChI Key NKSMZDXKRWEVEK-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
2.98
ALogP
3
HBA
1
HBD
42.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N3S+
MW 268.37
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine