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Compound Detail

CHEMBL564476

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CN1CCC2CC1C[C@@H](OC(=O)C(C)(c1ccccc1)c1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL564476
Phase Preclinical
Structure Type MOL
InChI Key FBHBHAUZAZRRFS-UDJZJCJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.41
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO2
MW 363.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.19

Activity Summary

Ki 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 5.012 nM 8.3 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