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Compound Detail

CHEMBL4544293

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O=C(Nc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4544293
Phase Preclinical
Structure Type MOL
InChI Key QGNQAWYEZXHCTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
4.57
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9F3N2OS
MW 322.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.42

Literature References

PubMed DOI Target Context # Activities
31302448 10.1016/j.ejmech.2019.07.002 Cannabinoid receptor 1 4
31302448 10.1016/j.ejmech.2019.07.002 Cannabinoid receptor 2 4

Data from ChEMBL 36 via Core Engine