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Compound Detail

CHEMBL492793

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COc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL492793
Phase Preclinical
Structure Type MOL
InChI Key NZGMILZJNCIQFE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.4
MW (Da)
3.49
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25Cl2N3O3S
MW 458.41
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 6.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
IC50 6.99 6.99 103.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18456500 10.1016/j.bmc.2008.04.023 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine