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Compound Detail

CHEMBL3764934

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CN1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1.Cl

Basic Information

ChEMBL ID CHEMBL3764934
Phase Preclinical
Structure Type MOL
InChI Key YBHOZXIHGGKBEQ-UHFFFAOYSA-N
Parent Compound CHEMBL3765870
Active Moiety CHEMBL3765870
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.24
ALogP
4
HBA
0
HBD
28.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30ClN3O
MW 399.97
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.68

Activity Summary

Ki 2 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 5.72 5.72 1905.5 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