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Compound Detail

CHEMBL2287992

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C(=C1\CCN=C1c1cccnc1)\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2287992
Phase Preclinical
Structure Type MOL
InChI Key ZCMDJQFYESSODI-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.36
ALogP
2
HBA
0
HBD
25.2
PSA (Ų)
0.78
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 C16H14N2
MW 234.30
Aromatic Rings 2
Heavy Atoms 18
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