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Compound Detail

CHEMBL1834223

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CCC1C=NN(/C(=N/S(=O)(=O)c2ccccc2Cl)Nc2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1834223
Phase Preclinical
Structure Type MOL
InChI Key QEGIPVVTDFUDRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
3.82
ALogP
3
HBA
1
HBD
74.1
PSA (Ų)
0.64
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 C18H19ClN4O2S
MW 390.90
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.25

Literature References

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

Data from ChEMBL 36 via Core Engine