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Compound Detail

CHEMBL310667

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CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OCc2cc(OC)cc(OC)c2)CC1

Basic Information

ChEMBL ID CHEMBL310667
Phase Preclinical
Structure Type MOL
InChI Key LOSQIKTTYAHEMV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.1
MW (Da)
5.99
ALogP
6
HBA
1
HBD
74.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H37ClN2O4
MW 489.06
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.70

Activity Summary

Ki 1 meas. best 9.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL5017
Ki 9.32 9.32 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80414-5 5-hydroxytryptamine receptor 4 2

Data from ChEMBL 36 via Core Engine