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Compound Detail

CHEMBL3765794

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

Basic Information

ChEMBL ID CHEMBL3765794
Phase Preclinical
Structure Type MOL
InChI Key UWHCYTVKIZXUEG-UHFFFAOYSA-N
Parent Compound CHEMBL3765838
Active Moiety CHEMBL3765838
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
6.13
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29ClN2O
MW 420.98
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.67

Activity Summary

Ki 2 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 6.22 6.22 602.6 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