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Compound Detail

CHEMBL4456654

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Cc1nc(C)c(C(=O)NCc2ccccc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4456654
Phase Preclinical
Structure Type MOL
InChI Key FXFUXZVNPRJEHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.69
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2OS
MW 246.34
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.18

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