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Compound Detail

CHEMBL252902

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CN(C)c1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1

Basic Information

ChEMBL ID CHEMBL252902
Phase Preclinical
Structure Type MOL
InChI Key JOPUNRLKCLQDOT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.2
MW (Da)
4.15
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16Cl2N2O2
MW 363.24
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.31

Activity Summary

Ki 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 6.46 6.46 346.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18053713 10.1016/j.bmcl.2007.11.045 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine