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Compound Detail

CHEMBL51546

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OC1CCCc2nc3ccccc3c(NCc3cccs3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51546
Phase Preclinical
Structure Type MOL
InChI Key HVYUZYLNNWIMHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.28
ALogP
4
HBA
2
HBD
45.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2OS
MW 310.42
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine