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Compound Detail

CHEMBL5773270

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Cc1ncc(C#CC2CC2)cc1OCC1CCN1

Basic Information

ChEMBL ID CHEMBL5773270
Phase Preclinical
Structure Type MOL
InChI Key SPTQZFUOJBUHQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
1.89
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O
MW 242.32
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.09

Activity Summary

Ki 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor; alpha2/beta2
CHEMBL2109236
Ki 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine