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Compound Detail

CHEMBL366935

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COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(I)cc2)CCCC1CN(C)C

Basic Information

ChEMBL ID CHEMBL366935
Phase Preclinical
Structure Type MOL
InChI Key SRJSNQDRXQQERZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

524.4
MW (Da)
4.47
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.46
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 C22H25IN2O3S
MW 524.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 8.62 8.62 2.4 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