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Compound Detail

CHEMBL3765208

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CCCCN(C)CCCCC(=O)n1c2ccccc2c2ccccc21.Cl

Basic Information

ChEMBL ID CHEMBL3765208
Phase Preclinical
Structure Type MOL
InChI Key GUVJWNPRHLCBPN-UHFFFAOYSA-N
Parent Compound CHEMBL3765835
Active Moiety CHEMBL3765835
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
5.34
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.52
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 C22H29ClN2O
MW 372.94
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.58

Activity Summary

Ki 2 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 5.89 5.89 1281.0 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