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Compound Detail

CHEMBL3310967

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COc1cc(/C=N/N(C)c2nc3ccccc3s2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3310967
Phase Preclinical
Structure Type MOL
InChI Key UIFIXUWEFPCDRK-YBFXNURJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.79
ALogP
7
HBA
0
HBD
56.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O3S
MW 357.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
24924425 10.1016/j.bmc.2014.05.034 No relevant target 3
24924425 10.1016/j.bmc.2014.05.034 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine