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Compound Detail

CHEMBL3040292

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c1ccc2c(c1)c1cc[n+]2CCOCC[n+]2ccc(c3ccccc32)NCCSCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040292
Phase Preclinical
Structure Type MOL
InChI Key HVQIFWZIWZDYAE-LMCGJEQXSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
3.86
ALogP
4
HBA
2
HBD
41.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N4OS+2
MW 446.62
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine