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

CHEMBL2287998

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
COc1ccc(/C=C2\CCN=C2c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2287998
Phase Preclinical
Structure Type MOL
InChI Key CPVDWMTVTSRPML-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
3.37
ALogP
3
HBA
0
HBD
34.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O
MW 264.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.G06-11 Nicotinic acetylcholine receptor alpha8 subunit 2

Data from ChEMBL 36 via Core Engine