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Compound Detail

CHEMBL372537

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O=S(=O)(c1ccccc1)c1csc2c(N3CCNCC3)cccc12

Basic Information

ChEMBL ID CHEMBL372537
Phase Preclinical
Structure Type MOL
InChI Key HDLSZDFKDVHVEL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
3.14
ALogP
5
HBA
1
HBD
49.4
PSA (Ų)
0.78
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 C18H18N2O2S2
MW 358.49
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.36

Activity Summary

Ki 2 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 9.3 9.3 0.5 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16143522 10.1016/j.bmcl.2005.06.107 5-hydroxytryptamine receptor 6 1
24850589 10.1021/jm5003952 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine