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Compound Detail

CHEMBL313046

PILOSININE
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Cn1cncc1C[C@H]1COC(=O)C1

Basic Information

ChEMBL ID CHEMBL313046
Name PILOSININE
Phase Preclinical
Structure Type MOL
InChI Key YOIFSTUAGLOWPB-SSDOTTSWSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
0.53
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12N2O2
MW 180.21
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.99

Activity Summary

IC50 2 meas. best 5.54
EC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 5.54 5.54 2890.0 1
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 5.0 5.0 10000.0 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
EC50 4.58 4.58 26302.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1732522 10.1021/jm00079a002 Muscarinic acetylcholine receptor M1 3
1732522 10.1021/jm00079a002 Muscarinic acetylcholine receptor 2
37042802 10.1021/acs.jnatprod.2c01079 Muscarinic acetylcholine receptor M1 2
37042802 10.1021/acs.jnatprod.2c01079 Muscarinic acetylcholine receptor M5 2
1732522 10.1021/jm00079a002 Muscarinic acetylcholine receptor M3 1
37042802 10.1021/acs.jnatprod.2c01079 Muscarinic acetylcholine receptor M2 1
37042802 10.1021/acs.jnatprod.2c01079 Muscarinic acetylcholine receptor M3 1
37042802 10.1021/acs.jnatprod.2c01079 Muscarinic acetylcholine receptor M4 1

Data from ChEMBL 36 via Core Engine