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Compound Detail

CHEMBL2376486

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CSc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1

Basic Information

ChEMBL ID CHEMBL2376486
Phase Preclinical
Structure Type MOL
InChI Key PYXFRMLACHDGND-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.4
MW (Da)
3.57
ALogP
2
HBA
2
HBD
27.8
PSA (Ų)
0.81
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 C15H18N2S
MW 258.39
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.51

Activity Summary

EC50 1 meas. best 8.18
IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
EC50 8.18 8.18 6.6 1
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 7.7 7.7 20.0 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 3

Data from ChEMBL 36 via Core Engine