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Compound Detail

CHEMBL3140000

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CCn1c(=O)/c(=C2\Sc3cccc(F)c3N2C)s/c1=C\c1cccc[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3140000
Phase Preclinical
Structure Type MOL
InChI Key PCPAGAWIRFYJGA-CZIZESTLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
2.03
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.62
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 C20H19FN3OS2+
MW 400.52
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine