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Compound Detail

CHEMBL3764109

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COc1cc(/C=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764109
Phase Preclinical
Structure Type MOL
InChI Key POQVSPHJDYXGDL-DJKKODMXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.89
ALogP
9
HBA
2
HBD
119.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O5S
MW 400.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.58

Literature References

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

Data from ChEMBL 36 via Core Engine