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Compound Detail

CHEMBL8510

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CN(C)CC#CCN1OCCC1=O

Basic Information

ChEMBL ID CHEMBL8510
Phase Preclinical
Structure Type MOL
InChI Key ZDZCQJUIQDQGSU-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
-0.28
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.55
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 C9H14N2O2
MW 182.22
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.66

Activity Summary

IC50 4 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 7.64 7.64 23.0 1
Muscarinic acetylcholine receptor M2
CHEMBL309
IC50 5.86 5.86 1380.0 1
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00150-9 Muscarinic acetylcholine receptor M2 2
- 10.1016/S0960-894X(97)00150-9 Muscarinic acetylcholine receptor M1 1
- 10.1016/S0960-894X(97)00150-9 Muscarinic acetylcholine receptor 1
- 10.1016/S0960-894X(97)00150-9 Unchecked 1

Data from ChEMBL 36 via Core Engine