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Compound Detail

CHEMBL320755

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O=C(OC1CN2CCC1CC2)C(O)(CN1CCC2(CC1)OCCO2)c1ccccc1

Basic Information

ChEMBL ID CHEMBL320755
Phase Preclinical
Structure Type MOL
InChI Key RLTQAMDPLBWNJD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
1.35
ALogP
7
HBA
1
HBD
71.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O5
MW 416.52
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.06

Activity Summary

Ki 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 5.28 5.28 5240.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2296026 10.1021/jm00163a050 Muscarinic acetylcholine receptor 1
2296026 10.1021/jm00163a050 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine