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Compound Detail

CHEMBL3084403

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COc1ccc(C(O)(C[C@H]2C[C@H]3CC[C@@H](C2)[N+]3(C)C)c2ccc(OC)cc2)cc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3084403
Phase Preclinical
Structure Type MOL
InChI Key NHLDYZYLWRLASL-UXDPJVGCSA-M
Parent Compound CHEMBL3140204
Active Moiety CHEMBL3140204
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.6
MW (Da)
4.35
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.74
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 C25H34BrNO3
MW 476.46
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
19630384 10.1021/jm900736e Muscarinic acetylcholine receptor M3 1

Data from ChEMBL 36 via Core Engine