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Compound Detail

CHEMBL3139996

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CCn1c(=O)/c(=C2\Sc3c(Cl)cccc3N2C)s/c1=C\c1cccc[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139996
Phase Preclinical
Structure Type MOL
InChI Key HMSPGOQXXXSXPG-CZIZESTLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.0
MW (Da)
2.54
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.60
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 C20H19ClN3OS2+
MW 416.98
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.84

Data from ChEMBL 36 via Core Engine