Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL293927

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293927
Phase Preclinical
Structure Type MOL
InChI Key CXYRUNPLKGGUJF-UHFFFAOYSA-M
Parent Compound CHEMBL107979
Active Moiety CHEMBL107979
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
1.06
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H24BrNO4
MW 398.30
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.14

Activity Summary

Kd 3 meas. best 9.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M3
CHEMBL320
 Kd 9.36 9.36 0.4 1
Muscarinic acetylcholine receptor M2
CHEMBL309
 Kd 9.06 9.06 0.9 1
Muscarinic acetylcholine receptor M1
CHEMBL276
 Kd 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M3 Kd = 0.44 nM 9.36 In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat su... 2374141
Muscarinic acetylcholine receptor M2 Kd = 0.87 nM 9.06 In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat he... 2374141
Muscarinic acetylcholine receptor M1 Kd = 1.1 nM 8.96 In vitro receptor binding against Muscarinic acetylcholine receptor M1 in rat ce... 2374141

Literature References

PubMed DOI Target Context # Activities
2374141 10.1021/jm00170a010 Cavia porcellus 2
2374141 10.1021/jm00170a010 Muscarinic acetylcholine receptor M1 1
2374141 10.1021/jm00170a010 Muscarinic acetylcholine receptor M2 1
2374141 10.1021/jm00170a010 Muscarinic acetylcholine receptor M3 1

Data from ChEMBL 36 via Core Engine