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

CHEMBL2331801

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
O=c1c2c(on1Cc1ccccc1)CCNC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2331801
Phase Preclinical
Structure Type MOL
InChI Key RPXJWSYWZRIUNN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
1.14
ALogP
4
HBA
1
HBD
47.2
PSA (Ų)
0.84
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 C13H14N2O2
MW 230.27
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2C 4
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2A 4

Data from ChEMBL 36 via Core Engine