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Compound Detail

CHEMBL4079094

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O=C1SCc2cc(-c3ccccc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079094
Phase Preclinical
Structure Type MOL
InChI Key NKTJGCWGSAXGPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
3.74
ALogP
2
HBA
0
HBD
17.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10OS
MW 226.30
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
29271657 10.1021/acs.jmedchem.7b01728 Unchecked 1

Data from ChEMBL 36 via Core Engine