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Compound Detail

CHEMBL3763567

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Cl.O=C(CCCCCN1CCOCC1)n1c2ccccc2c2ccccc21

Basic Information

ChEMBL ID CHEMBL3763567
Phase Preclinical
Structure Type MOL
InChI Key LRSLEKQNIJZPML-UHFFFAOYSA-N
Parent Compound CHEMBL3765853
Active Moiety CHEMBL3765853
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
4.33
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.62
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 C22H27ClN2O2
MW 386.92
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.79

Activity Summary

Ki 2 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 5.88 5.88 1307.0 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