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Compound Detail

CHEMBL3764842

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O=C(O)c1ccc(/C=N/Nc2nccs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764842
Phase Preclinical
Structure Type MOL
InChI Key FFFLNCMFTRMURV-NTUHNPAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.29
ALogP
5
HBA
2
HBD
74.6
PSA (Ų)
0.64
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 C11H9N3O2S
MW 247.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
26822568 10.1016/j.bmc.2016.01.028 Unchecked 1

Data from ChEMBL 36 via Core Engine