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

CHEMBL38756

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[C@H]1OCC2(CN3CCC2CC3)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL38756
Phase Preclinical
Structure Type MOL
InChI Key NUCNXJPAVKOMRW-PEHGTWAWSA-N
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
0.84
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
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 1.78

Activity Summary

EC50 4 meas. best 5.66
Ki 4 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
 EC50 5.66 5.2367 2187.8 3
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 5.54 5.54 2900.0 1
Rattus norvegicus
CHEMBL376
 EC50 5.25 5.25 5623.4 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 5.01 5.01 9700.0 1
Cavia porcellus
CHEMBL369
 Ki 4.85 4.85 14000.0 1
Muscarinic acetylcholine receptor M3
CHEMBL5498
 Ki 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus EC50 = 2187.76 nM 5.66 Determined for potency (muscarinic agonistic activity) expressed in guinea pig i... 3585909
Muscarinic acetylcholine receptor M1 Ki = 2900.0 nM 5.54 Compound was evaluated for its binding affinity against muscarinic acetylcholine... 1578479
Rattus norvegicus EC50 = 5623.41 nM 5.25 Determined for potency (muscarinic agonistic activity) expressed in superior cer... 3585909
Cavia porcellus EC50 = 6000.0 nM 5.22 In vitro agonistic activity on isolated guinea pig ileum 1578479
Muscarinic acetylcholine receptor M2 Ki = 9700.0 nM 5.01 Compound was evaluated for its binding affinity against muscarinic acetylcholine... 1578479
Cavia porcellus Ki = 14000.0 nM 4.85 Compound was evaluated for antagonistic activity against carbachol induced contr... 1578479
Cavia porcellus EC50 = 14791.08 nM 4.83 Determined for potency (muscarinic agonistic activity) expressed in guinea pig i... 3585909
Muscarinic acetylcholine receptor M3 Ki = 15000.0 nM 4.82 Compound was evaluated for its binding affinity against muscarinic acetylcholine... 1578479

Literature References

PubMed DOI Target Context # Activities
3585909 10.1021/jm00389a003 Cavia porcellus 5
1578479 10.1021/jm00087a007 Cavia porcellus 4
3585909 10.1021/jm00389a003 Rattus norvegicus 3
3585909 10.1021/jm00389a003 Muscarinic acetylcholine receptor M2 2
3585909 10.1021/jm00389a003 Muscarinic acetylcholine receptor M1 2
3585909 10.1021/jm00389a003 Muscarinic acetylcholine receptors; M1 & M2 2
3339620 10.1021/jm00397a039 Muscarinic acetylcholine receptor 2
3339620 10.1021/jm00397a039 Unchecked 1
1578479 10.1021/jm00087a007 Muscarinic acetylcholine receptor M1 1
1578479 10.1021/jm00087a007 Muscarinic acetylcholine receptor M2 1
1578479 10.1021/jm00087a007 Muscarinic acetylcholine receptor M3 1

Data from ChEMBL 36 via Core Engine