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Compound Detail

CHEMBL5178221

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CN1CCCC1c1cc2cc(O)ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5178221
Phase Preclinical
Structure Type MOL
InChI Key NGISPBRYVSLHBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
2.91
ALogP
3
HBA
1
HBD
36.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15NO2
MW 217.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.66

Literature References

PubMed DOI Target Context # Activities
35346843 10.1016/j.bmcl.2022.128701 Neuronal acetylcholine receptor; alpha4/beta2 1
35346843 10.1016/j.bmcl.2022.128701 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine