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Compound Detail

CHEMBL1834233

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CCC1C=NN(/C(=N/S(=O)(=O)c2cccc(Cl)c2)N(C)C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1834233
Phase Preclinical
Structure Type MOL
InChI Key DBUZGONQGQCYAT-SAPNQHFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.9
MW (Da)
2.27
ALogP
3
HBA
0
HBD
65.3
PSA (Ų)
0.62
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 C14H19ClN4O2S
MW 342.85
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
21866910 10.1021/jm200466r 5-hydroxytryptamine receptor 6 2

Data from ChEMBL 36 via Core Engine