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Compound Detail

CHEMBL5665429

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O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1csnn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5665429
Phase Preclinical
Structure Type MOL
InChI Key WOUOJJZNILPQML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.69
ALogP
8
HBA
1
HBD
86.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N4O3S2
MW 346.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.36

Literature References

PubMed DOI Target Context # Activities
26550826 10.1038/nature15699 Psychosine receptor 1

Data from ChEMBL 36 via Core Engine