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Compound Detail

CHEMBL368209

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Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(CCN(C)C)c3c2)sc2ccc(Cl)cc12

Basic Information

ChEMBL ID CHEMBL368209
Phase Preclinical
Structure Type MOL
InChI Key ZHONXOSWPFCSGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.0
MW (Da)
5.25
ALogP
4
HBA
2
HBD
65.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN3O2S2
MW 448.01
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.37

Activity Summary

Ki 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771424 10.1021/jm049615n 5-hydroxytryptamine receptor 6 2

Data from ChEMBL 36 via Core Engine