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Compound Detail

CHEMBL332767

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Cc1nccn1CC1CCc2c(c3cccc4c3n2CCCC4)C1=O

Basic Information

ChEMBL ID CHEMBL332767
Phase Preclinical
Structure Type MOL
InChI Key MZDTWMVPTDBLAX-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.93
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O
MW 333.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.63

Activity Summary

Ki 3 meas. best 9.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 3 (5-HT3) receptor
CHEMBL2094116
Ki 9.19 9.1133 0.6 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8246239 10.1021/jm00075a026 Serotonin 3 (5-HT3) receptor 3

Data from ChEMBL 36 via Core Engine