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Compound Detail

CHEMBL2376560

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CCCn1c(C)c(C2=CCNCC2)c2cc(Cl)ccc21

Basic Information

ChEMBL ID CHEMBL2376560
Phase Preclinical
Structure Type MOL
InChI Key ZPHVPMLYPGJLQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.8
MW (Da)
4.39
ALogP
2
HBA
1
HBD
17.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21ClN2
MW 288.82
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 7.1 7.1 80.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23542166 10.1016/j.ejmech.2013.03.006 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine