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Compound Detail

CHEMBL5665423

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O=C1CCc2cc(-c3csc(NC(=O)c4ccc(-c5ccccc5F)o4)n3)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5665423
Phase Preclinical
Structure Type MOL
InChI Key RQRYLMPIJCQQII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
5.35
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16FN3O3S
MW 433.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.97

Literature References

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

Data from ChEMBL 36 via Core Engine