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Compound Detail

CHEMBL3764428

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COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764428
Phase Preclinical
Structure Type MOL
InChI Key PUBYCPGKHFMHLL-VXLYETTFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.98
ALogP
7
HBA
2
HBD
76.0
PSA (Ų)
0.52
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 C18H17N3O3S
MW 355.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.28

Literature References

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

Data from ChEMBL 36 via Core Engine