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Compound Detail

CHEMBL435524

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COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc3ccccc23)CCCC1CN(C)C

Basic Information

ChEMBL ID CHEMBL435524
Phase Preclinical
Structure Type MOL
InChI Key SAHVYMKUXSVQNV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
5.02
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N2O3S
MW 448.59
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.67

Activity Summary

Ki 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15050637 10.1016/j.bmcl.2004.01.071 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine