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Compound Detail

CHEMBL84398

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C=CCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1

Basic Information

ChEMBL ID CHEMBL84398
Phase Preclinical
Structure Type MOL
InChI Key LATDOKMNFYNYEB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.9
MW (Da)
3.79
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25ClN2O2
MW 336.86
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.70

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 4 EC50 = 10.0 nM 8.0 Agonist activity against 5-HT4 receptor in rat esophageal muscularis mucosae -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80413-3 5-hydroxytryptamine receptor 4 2

Data from ChEMBL 36 via Core Engine