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Compound Detail

CHEMBL556760

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Cl.O=S(=O)(c1ccc(NO)cc1)c1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL556760
Phase Preclinical
Structure Type MOL
InChI Key UAAJWIJNULRNKP-UHFFFAOYSA-N
Parent Compound CHEMBL1196367
Active Moiety CHEMBL1196367
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.47
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.73
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 C16H14ClNO3S
MW 335.81
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.79

Activity Summary

Ki 1 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.2 7.2 63.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 Ki = 63.0 nM 7.2 Binding affinity against 5 Hydroxy tryptamine 6 receptor 15745826

Literature References

PubMed DOI Target Context # Activities
15745826 10.1016/j.bmcl.2005.01.031 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine