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Compound Detail

CHEMBL1616531

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COc1ccccc1N1C(C)=CC(=Cc2sc3ccccc3[n+]2C)C=C1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1616531
Phase Preclinical
Structure Type MOL
InChI Key WYBZIJBKCXMOCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
5.45
ALogP
3
HBA
0
HBD
16.4
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N2OS+
MW 375.52
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine