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Compound Detail

CHEMBL4457987

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COc1cccnc1C1CCN(C2CCCN(C(=O)OCC(C)C)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4457987
Phase Preclinical
Structure Type MOL
InChI Key JVVTUQFZULQGRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
3.92
ALogP
5
HBA
0
HBD
54.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H35N3O3
MW 389.54
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
31223452 10.1021/acsmedchemlett.9b00106 Muscarinic acetylcholine receptor M4 1

Data from ChEMBL 36 via Core Engine