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Compound Detail

CHEMBL410710

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CN1CC=C(c2cn(C(=O)c3ccccc3)c3ccccc23)CC1

Basic Information

ChEMBL ID CHEMBL410710
Phase Preclinical
Structure Type MOL
InChI Key UYLBNFAFIUFFNL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
4.05
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.71
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 C21H20N2O
MW 316.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.51

Activity Summary

Ki 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.0 7.0 99.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15603958 10.1016/j.bmcl.2004.10.064 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine