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Compound Detail

CHEMBL2376492

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Cc1c(C2=CCNCC2)c2cc(Cl)ccc2n1C

Basic Information

ChEMBL ID CHEMBL2376492
Phase Preclinical
Structure Type MOL
InChI Key QIJBAUKYBCNXQM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.8
MW (Da)
3.52
ALogP
2
HBA
1
HBD
17.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17ClN2
MW 260.77
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 7.4 7.4 40.0 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