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

CHEMBL134752

DIMETHYLPHENYLPIPERAZINIUM
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[N+]1(C)CCN(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134752
Name DIMETHYLPHENYLPIPERAZINIUM
Phase Preclinical
Structure Type MOL
InChI Key MKGIQRNAGSSHRV-UHFFFAOYSA-N
7
Targets
13
Activities
3
Assay Types
1
PK Parameters
16
Publications
0
Known Names

Molecular Properties

191.3
MW (Da)
1.58
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.61
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 C12H19N2+
MW 191.30
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.58

Activity Summary

EC50 9 meas. best 5.6
IC50 2 meas. best 4.92
Ki 2 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor; alpha4/beta2
CHEMBL1907589
 EC50 5.6 5.6 2500.0 1
Rattus norvegicus
CHEMBL376
 EC50 5.37 5.37 4300.0 1
Acetylcholine receptor subunit alpha
CHEMBL3097
 IC50 4.92 4.92 11900.0 1
Unchecked
CHEMBL612545
 EC50 4.75 4.6125 18000.0 4
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
 EC50 4.51 4.265 31000.0 2
Unchecked
CHEMBL612545
 Ki 4.3 4.3 49500.0 1
Neuronal acetylcholine receptor; alpha3/beta2
CHEMBL2109234
 EC50 4.25 4.25 56000.0 1
Nicotinic acetylcholine receptor alpha 5 subunit
CHEMBL2366408
 Ki 4.06 4.06 86300.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 47.2 mL.min-1.g-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuronal acetylcholine receptor; alpha4/beta2 EC50 = 2500.0 nM 5.6 Compound was evaluated for functional potencies and efficacies at human Nicotini... 9435889
Rattus norvegicus EC50 = 4300.0 nM 5.37 Compound was evaluated for functional potencies and efficacies at rat nAChR subt... 9435889
Acetylcholine receptor subunit alpha IC50 = 11900.0 nM 4.92 Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs me... -
Unchecked EC50 = 18000.0 nM 4.75 Effective concentration against Nicotinic acetylcholine receptor alpha4-beta2 ex... 16033252
Unchecked EC50 = 19000.0 nM 4.72 Effective concentration against Nicotinic acetylcholine receptor alpha3-beta4 ex... 16033252
Unchecked EC50 = 23000.0 nM 4.64 Effective concentration against Nicotinic acetylcholine receptor alpha2-beta4 ex... 16033252
Neuronal acetylcholine receptor subunit alpha-7 EC50 = 31000.0 nM 4.51 Effective concentration against Nicotinic acetylcholine receptor alpha 7 express... 16033252
Unchecked EC50 = 46000.0 nM 4.34 Effective concentration against Nicotinic acetylcholine receptor alpha4-beta4 ex... 16033252
Unchecked Ki = 49500.0 nM 4.3 Displacement of [3H]alpha-bungarotoxin from nAChR in honeybee head membrane afte... -
Neuronal acetylcholine receptor; alpha3/beta2 EC50 = 56000.0 nM 4.25 Effective concentration against Nicotinic acetylcholine receptor alpha3-beta2 ex... 16033252
Nicotinic acetylcholine receptor alpha 5 subunit Ki = 86300.0 nM 4.06 Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly)... -
Neuronal acetylcholine receptor subunit alpha-7 EC50 = 95000.0 nM 4.02 Compound was evaluated for functional potencies and efficacies at human Nicotini... 9435889

Literature References

PubMed DOI Target Context # Activities
16033252 10.1021/jm040219e Unchecked 4
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha3/beta2 3
- 10.1584/jpestics.20.49 Acetylcholine receptor subunit alpha 3
33606526 10.1021/acs.jmedchem.0c02047 POU domain, class 2, transcription factor 1 3
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha3/beta4 2
16033252 10.1021/jm040219e Neuronal acetylcholine receptor subunit alpha-7 2
9435889 10.1021/jm970377o Neuronal acetylcholine receptor; alpha4/beta2 1
9435889 10.1021/jm970377o Neuronal acetylcholine receptor subunit alpha-7 1
9435889 10.1021/jm970377o Rattus norvegicus 1
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha4/beta4 1
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha4/beta2 1
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha2/beta4 1
- 10.1584/jpestics.17.4_231 Unchecked 1
- 10.1584/jpestics.17.4_231 Nicotinic acetylcholine receptor alpha 5 subunit 1
33606526 10.1021/acs.jmedchem.0c02047 Unchecked 1
36067397 10.1021/acs.jmedchem.2c01075 Solute carrier family 22 member 3 1

Data from ChEMBL 36 via Core Engine