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Compound Detail

CHEMBL1178600

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CCn1c(=O)/c(=C2\Oc3ccccc3N2C)s/c1=C\c1cccc[n+]1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178600
Phase Preclinical
Structure Type MOL
InChI Key WPHVVCURESBJJG-XUTLUUPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
1.66
ALogP
5
HBA
0
HBD
38.4
PSA (Ų)
0.65
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 C21H22N3O2S+
MW 380.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine