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Compound Detail

CHEMBL392896

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O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL392896
Phase Preclinical
Structure Type MOL
InChI Key QNGJYVOEOMSOMB-ATVHPVEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
4.32
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.71
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 C19H13N3OS
MW 331.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
17303421 10.1016/j.bmcl.2007.01.081 Unchecked 1

Data from ChEMBL 36 via Core Engine