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Compound Detail

CHEMBL325964

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CCCCCCOc1nccnc1[C@H]1CN2CCC1C2

Basic Information

ChEMBL ID CHEMBL325964
Phase Preclinical
Structure Type MOL
InChI Key NFWZXXINCSENSK-KZUDCZAMSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
2.85
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.72
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 C16H25N3O
MW 275.40
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.07

Activity Summary

IC50 2 meas. best 8.25
EC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 8.25 8.2 5.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658434 10.1021/jm00018a007 Muscarinic acetylcholine receptor M1 2
7658434 10.1021/jm00018a007 A9 2
7658434 10.1021/jm00018a007 Mus musculus 2

Data from ChEMBL 36 via Core Engine