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Compound Detail

CHEMBL3763883

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CN(CCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1.Cl

Basic Information

ChEMBL ID CHEMBL3763883
Phase Preclinical
Structure Type MOL
InChI Key RMIYHRPRZSYNNZ-UHFFFAOYSA-N
Parent Compound CHEMBL3765837
Active Moiety CHEMBL3765837
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
5.74
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN2O
MW 406.96
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.73

Activity Summary

Ki 2 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 6.29 6.29 512.9 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26852005 10.1016/j.ejmech.2016.01.043 5-hydroxytryptamine receptor 7 2

Data from ChEMBL 36 via Core Engine