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

CHEMBL2287062

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=[N+]([O-])C(/C=N/c1ccccc1)=C1NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2287062
Phase Preclinical
Structure Type MOL
InChI Key AJCMZSWKHXSAAO-RIYZIHGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
1.03
ALogP
5
HBA
2
HBD
79.6
PSA (Ų)
0.46
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 C11H12N4O2
MW 232.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.17.4_231 Unchecked 1
- 10.1584/jpestics.17.4_231 Nicotinic acetylcholine receptor alpha 5 subunit 1

Data from ChEMBL 36 via Core Engine