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

CHEMBL2432048

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
c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1

Basic Information

ChEMBL ID CHEMBL2432048
Phase Preclinical
Structure Type MOL
InChI Key KBAKPEFQDPCCTP-RAOGCBAWSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

265.4
MW (Da)
2.97
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N
MW 265.40
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.31

Activity Summary

Ki 10 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.03 8.03 9.3 1
Sigma non-opioid intracellular receptor 1
CHEMBL3602
Ki 7.31 7.31 49.0 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
Ki 6.05 6.05 892.0 1
Muscarinic acetylcholine receptor M2
CHEMBL211
Ki 5.99 5.99 1028.0 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
Ki 5.7 5.7 2001.0 1
Sodium-dependent dopamine transporter
CHEMBL238
Ki 5.7 5.7 2016.0 1
Muscarinic acetylcholine receptor M3
CHEMBL245
Ki 5.67 5.67 2155.0 1
Histamine H2 receptor
CHEMBL1941
Ki 5.41 5.41 3896.0 1
Alpha-1A adrenergic receptor
CHEMBL229
Ki 5.22 5.22 6085.0 1
D(3) dopamine receptor
CHEMBL234
Ki 5.06 5.06 8662.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23981939 10.1016/j.bmc.2013.07.045 RAW264.7 4
23981939 10.1016/j.bmc.2013.07.045 Unchecked 4
23981939 10.1016/j.bmc.2013.07.045 Histamine H4 receptor 1
23981939 10.1016/j.bmc.2013.07.045 Alpha-1D adrenergic receptor 1
23981939 10.1016/j.bmc.2013.07.045 Beta-1 adrenergic receptor 1
23981939 10.1016/j.bmc.2013.07.045 Delta-type opioid receptor 1
23981939 10.1016/j.bmc.2013.07.045 Beta-3 adrenergic receptor 1
23981939 10.1016/j.bmc.2013.07.045 D(1A) dopamine receptor 1
23981939 10.1016/j.bmc.2013.07.045 D(1B) dopamine receptor 1
23981939 10.1016/j.bmc.2013.07.045 Histamine H1 receptor 1
23981939 10.1016/j.bmc.2013.07.045 Histamine H3 receptor 1
23981939 10.1016/j.bmc.2013.07.045 Muscarinic acetylcholine receptor M1 1
23981939 10.1016/j.bmc.2013.07.045 5-hydroxytryptamine receptor 1A 1
23981939 10.1016/j.bmc.2013.07.045 5-hydroxytryptamine receptor 1D 1
23981939 10.1016/j.bmc.2013.07.045 5-hydroxytryptamine receptor 1E 1
23981939 10.1016/j.bmc.2013.07.045 5-hydroxytryptamine receptor 2B 1
23981939 10.1016/j.bmc.2013.07.045 5-hydroxytryptamine receptor 2C 1
23981939 10.1016/j.bmc.2013.07.045 5-hydroxytryptamine receptor 3A 1
23981939 10.1016/j.bmc.2013.07.045 5-hydroxytryptamine receptor 5A 1
23981939 10.1016/j.bmc.2013.07.045 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine