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Compound Detail

CHEMBL367305

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O=S(=O)(Nc1ccc2c(ccn2CCN2CCCCC2)c1)c1c(Cl)nc2sccn12

Basic Information

ChEMBL ID CHEMBL367305
Phase Preclinical
Structure Type MOL
InChI Key VRGJFPLLFDBSMA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.0
MW (Da)
4.29
ALogP
7
HBA
1
HBD
71.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN5O2S2
MW 464.02
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.12

Activity Summary

Ki 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.5 7.5 31.4 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