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Compound Detail

CHEMBL6069973

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CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C\c1cccc[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6069973
Phase Preclinical
Structure Type MOL
InChI Key TVDWEFLNYHHCNE-ZZEZOPTASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
1.89
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N3OS2+
MW 382.53
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.93

Data from ChEMBL 36 via Core Engine