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Compound Detail

CHEMBL1243266

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CC(C)CC(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243266
Phase Preclinical
Structure Type MOL
InChI Key UXVJGEKUGDFIQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
2.43
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31N3O3
MW 373.50
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
20684563 10.1021/jm100697g Muscarinic acetylcholine receptor M1 2

Data from ChEMBL 36 via Core Engine