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Compound Detail

CHEMBL309655

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COc1cc(N)c(Cl)cc1C(=O)CCCN1CCCCC1

Basic Information

ChEMBL ID CHEMBL309655
Phase Preclinical
Structure Type MOL
InChI Key XJWVURLHVIPCJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.8
MW (Da)
3.38
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.65
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 C16H23ClN2O2
MW 310.83
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.97

Activity Summary

EC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
EC50 6.5 6.5 316.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 4 EC50 = 316.23 nM 6.5 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 1

Data from ChEMBL 36 via Core Engine