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

CHEMBL303463

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
CN1C2CCCC1CC(OC(=O)n1c(=O)[nH]c3ccccc31)C2.O=C(O)CC(O)(CC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303463
Phase Preclinical
Structure Type MOL
InChI Key WHJXKSUNRPHFDR-UHFFFAOYSA-N
Parent Compound CHEMBL1183540
Active Moiety CHEMBL1183540
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.33
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N3O10
MW 507.50
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
1695682 10.1021/jm00170a009 Serotonin 3 (5-HT3) receptor 1
1695682 10.1021/jm00170a009 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine