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

CHEMBL328641

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)NCCN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328641
Phase Preclinical
Structure Type MOL
InChI Key DFQXKEOLEVYFLU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
2.49
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.60
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 C25H31N5O4
MW 465.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.15

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