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Compound Detail

CHEMBL3798961

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FC(F)(F)c1cccc(NC(=S)Nc2ccccc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3798961
Phase Preclinical
Structure Type MOL
InChI Key JKQVMFHBHLKJPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
5.17
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.74
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10ClF3N2S
MW 330.76
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.35

Literature References

PubMed DOI Target Context # Activities
27061981 10.1016/j.ejmech.2016.03.073 Mus musculus 9
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