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Compound Detail

CHEMBL564636

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CCN1CCC(COC(=O)C(C)(c2ccccc2)c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL564636
Phase Preclinical
Structure Type MOL
InChI Key NBWAPMDXYZPEQG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
4.27
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO2
MW 351.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.53

Activity Summary

Ki 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.9 6.9 125.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 125.89 nM 6.9 Inhibition of [3H]NMS binding to muscarinic receptor in mouse N4TG1 neuroblastom... 19409797

Literature References

PubMed DOI Target Context # Activities
19409797 10.1016/j.bmc.2009.04.001 Unchecked 1
19409797 10.1016/j.bmc.2009.04.001 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine