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Compound Detail

CHEMBL5200745

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COc1ccc2oc(C3CCCN3C)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5200745
Phase Preclinical
Structure Type MOL
InChI Key TYDMDORPTPOLLG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
3.21
ALogP
3
HBA
0
HBD
25.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17NO2
MW 231.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.10

Activity Summary

Ki 1 meas.

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