Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL317377

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)n1c(=O)n(C(=O)NN2CCN(C)CC2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL317377
Phase Preclinical
Structure Type MOL
InChI Key LCRCZLMASNJEJA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
1.10
ALogP
6
HBA
1
HBD
62.5
PSA (Ų)
0.90
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 C16H23N5O2
MW 317.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.05

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 3 (5-HT3) receptor
CHEMBL2094116
Ki 6.7 6.7 200.8 1

Activity Data Samples

Top measurements by pChEMBL value

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