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Compound Detail

CHEMBL192083

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Cc1ccc(OCc2ccccc2)c(C(CCN2C[C@@]3(C)C[C@@]3(C)C2)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL192083
Phase Preclinical
Structure Type MOL
InChI Key LYPDKARLUOPFRO-MPGXNIMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.6
MW (Da)
6.83
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.39
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 C30H35NO
MW 425.62
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.24

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