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Compound Detail

CHEMBL421187

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CC(C)n1c(=O)n(C(=O)NCCN2CCN(CCCOc3ccc(F)cc3)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL421187
Phase Preclinical
Structure Type MOL
InChI Key IFCNDOCGRVPNIK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
3.17
ALogP
7
HBA
1
HBD
71.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34FN5O3
MW 483.59
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.39

Activity Summary

Ki 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL5017
 Ki 6.43 6.43 375.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 4 Ki = 375.0 nM 6.43 Binding affinity against 5-hydroxytryptamine 4 receptor in guinea pig striatum u... 10425096

Literature References

PubMed DOI Target Context # Activities
10425096 10.1021/jm981098j 5-hydroxytryptamine receptor 4 3
10425096 10.1021/jm981098j Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine