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Compound Detail

CHEMBL326937

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CCN(CC)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccc(OC)cc12

Basic Information

ChEMBL ID CHEMBL326937
Phase Preclinical
Structure Type MOL
InChI Key BOWVPYNJPNKYGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
3.35
ALogP
6
HBA
1
HBD
77.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N3O3S
MW 401.53
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.13

Activity Summary

Ki 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 Ki = 0.6 nM 9.22 Binding affinity towards human 5-hydroxytryptamine 6 receptor 12951125

Literature References

PubMed DOI Target Context # Activities
12951125 10.1016/s0960-894x(03)00612-7 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine