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Compound Detail

CHEMBL5665395

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Cc1nc(-c2ncccn2)sc1C(=O)O[C@@H](c1ccccc1)c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5665395
Phase Preclinical
Structure Type MOL
InChI Key YAUFISAXTWWIMP-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
4.25
ALogP
7
HBA
0
HBD
77.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N4O2S
MW 388.45
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
26550826 10.1038/nature15699 Psychosine receptor 2

Data from ChEMBL 36 via Core Engine