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Compound Detail

CHEMBL3798450

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O=[N+]([O-])c1cc(NC(=S)Nc2ccccc2Cl)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3798450
Phase Preclinical
Structure Type MOL
InChI Key IBWBAYYFGFQDBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.2
MW (Da)
4.71
ALogP
3
HBA
2
HBD
67.2
PSA (Ų)
0.48
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 C13H9Cl2N3O2S
MW 342.21
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.48

Literature References

PubMed DOI Target Context # Activities
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
27061981 10.1016/j.ejmech.2016.03.073 Mus musculus 1

Data from ChEMBL 36 via Core Engine