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Compound Detail

CHEMBL3763504

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CC(=O)N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc32)CC1.Cl

Basic Information

ChEMBL ID CHEMBL3763504
Phase Preclinical
Structure Type MOL
InChI Key SAQZYOPCAXFWAJ-UHFFFAOYSA-N
Parent Compound CHEMBL3765871
Active Moiety CHEMBL3765871
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
3.77
ALogP
4
HBA
0
HBD
45.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28ClN3O2
MW 413.95
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.83

Activity Summary

Ki 2 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 5.97 5.97 1071.5 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