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Compound Detail

CHEMBL404660

CYFUSINE
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O=c1cccc2n1CC1CNCC21

Basic Information

ChEMBL ID CHEMBL404660
Name CYFUSINE
Phase Preclinical
Structure Type MOL
InChI Key CXOGMMQKRNROKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
0.16
ALogP
3
HBA
1
HBD
34.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12N2O
MW 176.22
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.06

Activity Summary

Ki 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor; alpha4/beta2
CHEMBL1907596
Ki 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18356044 10.1016/j.bmcl.2008.02.078 Neuronal acetylcholine receptor; alpha4/beta2 1
18356044 10.1016/j.bmcl.2008.02.078 Neuronal acetylcholine receptor; alpha3/beta4 1
18356044 10.1016/j.bmcl.2008.02.078 Neuronal acetylcholine receptor subunit alpha-7 1

Data from ChEMBL 36 via Core Engine