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Compound Detail

CHEMBL4446144

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COc1cccnc1C1CCN(C2CCCN(c3cccnc3)CC2)CC1

Basic Information

ChEMBL ID CHEMBL4446144
Phase Preclinical
Structure Type MOL
InChI Key WAOZEZNGGRPDPU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.72
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N4O
MW 366.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.17

Activity Summary

EC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M4
CHEMBL1821
EC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31223452 10.1021/acsmedchemlett.9b00106 Muscarinic acetylcholine receptor M4 2

Data from ChEMBL 36 via Core Engine