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Compound Detail

CHEMBL370757

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Cc1ccc(OCc2ccccc2)c(C(CCN2C[C@H]3C[C@H]3C2C)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL370757
Phase Preclinical
Structure Type MOL
InChI Key RMIOCWSMLOFBIC-YVWADPGTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.6
MW (Da)
6.44
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33NO
MW 411.59
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
15808475 10.1016/j.bmcl.2005.02.036 Muscarinic acetylcholine receptor M3 1
15808475 10.1016/j.bmcl.2005.02.036 Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine