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

CHEMBL294273

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)OC1CC2CCCC1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294273
Phase Preclinical
Structure Type MOL
InChI Key SEGNDTHRZAYKPQ-UHFFFAOYSA-N
10
Targets
26
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
1.17
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 1.81

Activity Summary

Ki 25 meas. best 7.04
EC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 7.04 5.96 92.0 3
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 6.05 5.4033 900.0 3
Neuronal acetylcholine receptor; alpha4/beta2
CHEMBL1907596
 Ki 5.82 5.82 1500.0 2
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 5.64 5.64 2300.0 1
Muscarinic acetylcholine receptor M1
CHEMBL276
 Ki 5.58 5.58 2600.0 2
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 5.57 5.515 2700.0 4
Muscarinic acetylcholine receptor M2
CHEMBL309
 Ki 5.57 5.57 2700.0 1
Muscarinic acetylcholine receptor M4
CHEMBL317
 Ki 5.08 5.08 8300.0 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 4.82 4.82 15000.0 2
Muscarinic acetylcholine receptor M3
CHEMBL320
 Ki 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 92.0 nM 7.04 Inhibition of [3H]- oxotremorine-M binding to Muscarinic acetylcholine receptor ... 10891110
Muscarinic acetylcholine receptor Ki = 860.0 nM 6.07 The binding affinity was measured as inhibition of binding of [3H]- oxotremorine... 10891110
Muscarinic acetylcholine receptor M4 Ki = 900.0 nM 6.05 Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine rec... 10891110
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 1500.0 nM 5.82 Inhibition of binding of [3H]nicotine to Nicotinic acetylcholine receptor alpha4... 9622546
Neuronal acetylcholine receptor; alpha4/beta2 Ki = 1500.0 nM 5.82 The compound was evaluated for percentage inhibition of binding of [3H]- nicotin... 9622546
Muscarinic acetylcholine receptor M1 Ki = 2300.0 nM 5.64 Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine rec... 10891110
Muscarinic acetylcholine receptor M1 Ki = 2600.0 nM 5.58 Inhibition of binding of [3H]oxotremorine M to Muscarinic acetylcholine receptor... 9622546
Muscarinic acetylcholine receptor M1 Ki = 2600.0 nM 5.58 Affinity versus [3H]oxotremorine M (agonist) binding to Muscarinic acetylcholine... 9622546
Muscarinic acetylcholine receptor M2 Ki = 2700.0 nM 5.57 Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in ... 9622546
Muscarinic acetylcholine receptor M2 Ki = 2700.0 nM 5.57 Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine... 9622546
Muscarinic acetylcholine receptor M2 Ki = 2700.0 nM 5.57 Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylch... 10891110
Muscarinic acetylcholine receptor M2 Ki = 2754.23 nM 5.56 Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells 18182302
Muscarinic acetylcholine receptor M2 Ki = 4400.0 nM 5.36 Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine rec... 10891110
Muscarinic acetylcholine receptor M4 Ki = 8300.0 nM 5.08 Inhibition of [3H]- quinuclidinyl benzilate binding to Muscarinic acetylcholine ... 10891110
Muscarinic acetylcholine receptor M4 Ki = 8300.0 nM 5.08 Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine... 9622546
Muscarinic acetylcholine receptor M4 Ki = 8300.0 nM 5.08 Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in ... 9622546
Muscarinic acetylcholine receptor M3 Ki = 15000.0 nM 4.82 Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylch... 10891110
Muscarinic acetylcholine receptor M3 Ki = 15000.0 nM 4.82 Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine... 9622546
Muscarinic acetylcholine receptor M3 Ki = 15000.0 nM 4.82 Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in ... 9622546
Muscarinic acetylcholine receptor Ki = 17000.0 nM 4.77 Inhibition of [3H]- quinuclidinyl benzilate binding to Muscarinic acetylcholine ... 10891110

Literature References

PubMed DOI Target Context # Activities
9622546 10.1021/jm9705115 Muscarinic acetylcholine receptor M1 7
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor 5
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor M1 2
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor M2 2
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor M3 2
10891110 10.1021/jm9904001 Muscarinic acetylcholine receptor M4 2
9622546 10.1021/jm9705115 Neuronal acetylcholine receptor; alpha4/beta2 2
9622546 10.1021/jm9705115 Muscarinic acetylcholine receptor M2 2
9622546 10.1021/jm9705115 Muscarinic acetylcholine receptor M3 2
9622546 10.1021/jm9705115 Muscarinic acetylcholine receptor M4 2
10891110 10.1021/jm9904001 Unchecked 1
16153841 10.1016/j.bmcl.2005.07.045 Muscarinic acetylcholine receptor 1
18182302 10.1016/j.bmc.2007.12.036 Muscarinic acetylcholine receptor M1 1
18182302 10.1016/j.bmc.2007.12.036 Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine