Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3797474

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3797474
Phase Preclinical
Structure Type MOL
InChI Key LEEJHOACAWNXOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
4.52
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13F3N2OS
MW 326.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
27061981 10.1016/j.ejmech.2016.03.073 Mus musculus 10
27061981 10.1016/j.ejmech.2016.03.073 5-hydroxytryptamine receptor 2A 1
27061981 10.1016/j.ejmech.2016.03.073 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine