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Compound Detail

CHEMBL4117241

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CC[N+]1(C)Cc2sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117241
Phase Preclinical
Structure Type MOL
InChI Key ORJUZWXLUFPOJA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.9
MW (Da)
3.62
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20ClN4O2S+
MW 379.89
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.46

Data from ChEMBL 36 via Core Engine