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Compound Detail

CHEMBL1625404

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CNc1nc(-c2ccccc2)[n+](-c2ccc(C)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1625404
Phase Preclinical
Structure Type MOL
InChI Key AYURKVVCUVKFLJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
3.44
ALogP
3
HBA
1
HBD
28.8
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 C16H16N3S+
MW 282.39
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine