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

CHEMBL279356

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
Cc1noc(C2CN3CCC2CC3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL279356
Phase Preclinical
Structure Type MOL
InChI Key CJZKUTNGRZKBRH-UHFFFAOYSA-N
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
1.19
ALogP
4
HBA
0
HBD
42.2
PSA (Ų)
0.67
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 C10H15N3O
MW 193.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.83

Activity Summary

IC50 5 meas. best 7.85
Ki 2 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 IC50 7.85 6.732 14.0 5
Muscarinic acetylcholine receptor DM1
CHEMBL2366467
 Ki 5.88 5.88 1320.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor IC50 = 14.0 nM 7.85 In vitro inhibition of [3H]OXO-M binding to Muscarinic receptor from rat cortica... 1560440
Muscarinic acetylcholine receptor IC50 = 14.0 nM 7.85 The compound was tested in vitro for central muscarinic acetylcholine receptor a... 1895293
Muscarinic acetylcholine receptor IC50 = 350.0 nM 6.46 Inhibition of [3H]-(R)-QNB binding to muscarinic receptors of rat brain membrane... 8464038
Muscarinic acetylcholine receptor DM1 Ki = 1320.0 nM 5.88 Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation coun... 17319687
Muscarinic acetylcholine receptor DM1 Ki = 1330.0 nM 5.88 Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillatio... 17319687
Muscarinic acetylcholine receptor IC50 = 1800.0 nM 5.75 In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical ... 1560440
Muscarinic acetylcholine receptor IC50 = 1800.0 nM 5.75 The compound was tested in vitro for central muscarinic acetylcholine receptor a... 1895293

Literature References

PubMed DOI Target Context # Activities
17319687 10.1021/jf0631934 Musca domestica 14
1732546 10.1021/jm00080a014 Muscarinic acetylcholine receptor 3
1560440 10.1021/jm00085a016 Muscarinic acetylcholine receptor 3
1895293 10.1021/jm00113a009 Muscarinic acetylcholine receptor 3
2213823 10.1021/jm00172a003 Muscarinic acetylcholine receptor 3
2319559 10.1021/jm00166a008 Muscarinic acetylcholine receptor 3
2362286 10.1021/jm00169a041 Muscarinic acetylcholine receptor 3
17319687 10.1021/jf0631934 Muscarinic acetylcholine receptor DM1 2
2319559 10.1021/jm00166a008 Unchecked 1
8464038 10.1021/jm00059a008 Muscarinic acetylcholine receptor 1
8464038 10.1021/jm00059a008 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine