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Compound Detail

CHEMBL3797981

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O=[N+]([O-])c1cc(NC(=S)NCc2ccccc2)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3797981
Phase Preclinical
Structure Type MOL
InChI Key HTOWMPMUUYWNAJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.8
MW (Da)
3.73
ALogP
3
HBA
2
HBD
67.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12ClN3O2S
MW 321.79
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.33

Literature References

PubMed DOI Target Context # Activities
27061981 10.1016/j.ejmech.2016.03.073 Mus musculus 16
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