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

CHEMBL325322

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
CC(=O)O[C@@H]1CC2CC(C1)N(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325322
Phase Preclinical
Structure Type MOL
InChI Key FSBJEHDHWKZHJV-UDNWOFFPSA-N
4
Targets
16
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
1.03
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H17NO2
MW 183.25
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.13

Activity Summary

Ki 16 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 5.19 4.9086 6470.0 7
Muscarinic acetylcholine receptor M1
CHEMBL276
 Ki 5.15 4.9567 7110.0 3
Muscarinic acetylcholine receptor
CHEMBL2094109
 Ki 4.98 4.7733 10400.0 3
Muscarinic acetylcholine receptor M3
CHEMBL320
 Ki 4.95 4.71 11300.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 6470.0 nM 5.19 Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in rat b... 1956033
Muscarinic acetylcholine receptor M1 Ki = 7110.0 nM 5.15 Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB ... 1956033
Muscarinic acetylcholine receptor Ki = 7820.0 nM 5.11 Inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat... 1956033
Muscarinic acetylcholine receptor Ki = 8550.0 nM 5.07 Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in rat b... 1956033
Muscarinic acetylcholine receptor M1 Ki = 8620.0 nM 5.06 Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB ... 1956033
Muscarinic acetylcholine receptor Ki = 10400.0 nM 4.98 Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in guine... 1956033
Muscarinic acetylcholine receptor Ki = 10400.0 nM 4.98 Inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat... 1956033
Muscarinic acetylcholine receptor M3 Ki = 11300.0 nM 4.95 Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB ... 1956033
Muscarinic acetylcholine receptor Ki = 11900.0 nM 4.92 Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in guine... 1956033
Muscarinic acetylcholine receptor Ki = 12500.0 nM 4.9 Inhibition of [3H]pirenzepine binding against muscarinic acetylcholine receptor ... 1956033
Muscarinic acetylcholine receptor M3 Ki = 14100.0 nM 4.85 Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB ... 1956033
Muscarinic acetylcholine receptor M1 Ki = 22100.0 nM 4.66 Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB ... 1956033
Muscarinic acetylcholine receptor Ki = 23000.0 nM 4.64 Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in rat b... 1956033
Muscarinic acetylcholine receptor Ki = 33900.0 nM 4.47 Inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat... 1956033
Muscarinic acetylcholine receptor Ki = 38100.0 nM 4.42 Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in guine... 1956033
Muscarinic acetylcholine receptor M3 Ki = 46700.0 nM 4.33 Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB ... 1956033

Literature References

PubMed DOI Target Context # Activities
1956033 10.1021/jm00115a003 Muscarinic acetylcholine receptor 10
1956033 10.1021/jm00115a003 Muscarinic acetylcholine receptor M1 3
1956033 10.1021/jm00115a003 Muscarinic acetylcholine receptor M3 3

Data from ChEMBL 36 via Core Engine