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Compound Detail

CHEMBL3763938

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COc1cc(/C=N/Nc2nccs2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763938
Phase Preclinical
Structure Type MOL
InChI Key CPKAQTXCWONZDO-VGOFMYFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
2.31
ALogP
7
HBA
2
HBD
76.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13N3O3S
MW 279.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.22

Literature References

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

Data from ChEMBL 36 via Core Engine