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Compound Detail

CHEMBL29835

BESIPIRDINE
🧪 Phase II
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🧪 Phase II
CCCN(c1ccncc1)n1ccc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29835
Name BESIPIRDINE
Phase Phase II
Structure Type MOL
InChI Key OTPPJICEBWOCKD-UHFFFAOYSA-N

Known Names

Besipirdina Besipirdine
8
Targets
27
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

251.3
MW (Da)
3.72
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -pirdine
USAN Year 1994

Extended Properties

Molecular Formula C16H17N3
MW 251.33
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.93

Activity Summary

IC50 27 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor alpha-2
CHEMBL2093864
 IC50 6.85 6.5567 140.0 6
Rattus norvegicus
CHEMBL376
 IC50 6.57 6.1786 270.0 7
Sodium-dependent noradrenaline transporter
CHEMBL222
 IC50 6.37 6.37 430.0 1
Muscarinic acetylcholine receptor
CHEMBL1907609
 IC50 6.34 5.888 460.0 5
Muscarinic acetylcholine receptor M2
CHEMBL309
 IC50 6.19 6.095 650.0 2
Muscarinic acetylcholine receptor M1
CHEMBL276
 IC50 5.89 5.89 1300.0 2
Unchecked
CHEMBL612545
 IC50 5.26 4.89 5500.0 2
Adrenergic receptor alpha-1
CHEMBL1907610
 IC50 5.0 5.0 10000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adrenergic receptor alpha-2 IC50 = 140.0 nM 6.85 Inhibitory activity against [3H]idazoxan binding to Alpha-2 adrenergic receptor ... 8558529
Adrenergic receptor alpha-2 IC50 = 250.0 nM 6.6 Compound was tested for inhibition of [3H]yohimbine against Alpha-2 adrenergic r... 8558530
Adrenergic receptor alpha-2 IC50 = 250.0 nM 6.6 Inhibitory activity against [3H]yohimbine binding to Alpha-2 adrenergic receptor... 8558529
Rattus norvegicus IC50 = 270.0 nM 6.57 Inhibitory activity against [3H]norepinephrine (NE) uptake in rat hypothalamus 8558529
Adrenergic receptor alpha-2 IC50 = 330.0 nM 6.48 Compound was tested for inhibition of [3H]clonidine against Alpha-2 adrenergic r... 8558530
Adrenergic receptor alpha-2 IC50 = 330.0 nM 6.48 Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor... 8558529
Rattus norvegicus IC50 = 410.0 nM 6.39 Compound was tested for inhibition of [3H]dopamine against rat striatum using in... 8558530
Rattus norvegicus IC50 = 410.0 nM 6.39 Inhibitory activity against [3H]dopamine uptake in rat striatum 8558529
Rattus norvegicus IC50 = 430.0 nM 6.37 Compound was tested for inhibition of [3H]norepinephrine against rat whole brain... 8558530
Sodium-dependent noradrenaline transporter IC50 = 430.0 nM 6.37 Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synapt... 8558529
Rattus norvegicus IC50 = 430.0 nM 6.37 Inhibitory activity against [3H]norepinephrine (NE) uptake in rat whole brain 8558529
Muscarinic acetylcholine receptor IC50 = 460.0 nM 6.34 Inhibitory activity against [3H]oxotremorine-M binding to muscarinic receptors i... 8558529
Adrenergic receptor alpha-2 IC50 = 470.0 nM 6.33 Inhibitory activity against [3H]-idazoxan binding to Alpha-2 adrenergic receptor... 8558529
Muscarinic acetylcholine receptor M2 IC50 = 650.0 nM 6.19 Inhibitory activity against [3H]N-methyl-scopolamine in rat Muscarinic acetylcho... 8558529
Muscarinic acetylcholine receptor IC50 = 940.0 nM 6.03 Inhibition of radioligand [3H]QNB binding (competitive inhibition) to muscarinic... 8558530
Muscarinic acetylcholine receptor IC50 = 940.0 nM 6.03 Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membr... 8558529
Muscarinic acetylcholine receptor M2 IC50 = 1000.0 nM 6.0 Inhibitory activity against [3H]N-methyl-scopolamine binding to Muscarinic acety... 8558529
Muscarinic acetylcholine receptor M1 IC50 = 1300.0 nM 5.89 Compound was tested for inhibition of [3H]pirenzepine binding against Muscarinic... 8558530
Muscarinic acetylcholine receptor M1 IC50 = 1300.0 nM 5.89 Inhibitory activity against [3H]pirenzepine binding to muscarinic M1 receptor in... 8558529
Rattus norvegicus IC50 = 2600.0 nM 5.58 Compound was tested for inhibition of [3H]5-HT against rat whole brain using in ... 8558530

Literature References

PubMed DOI Target Context # Activities
8558530 10.1021/jm950644v Mus musculus 7
8558529 10.1021/jm9506433 Mus musculus 7
8558529 10.1021/jm9506433 Rattus norvegicus 4
8558529 10.1021/jm9506433 Adrenergic receptor alpha-2 4
8558529 10.1021/jm9506433 Muscarinic acetylcholine receptor 4
8558530 10.1021/jm950644v Rattus norvegicus 3
8558529 10.1021/jm9506433 Glutamate NMDA receptor 2
8558530 10.1021/jm950644v Muscarinic acetylcholine receptor 2
11170622 10.1021/jm000155h Unchecked 2
8558529 10.1021/jm9506433 Muscarinic acetylcholine receptor M2 2
8558529 10.1021/jm9506433 Acetylcholinesterase 2
8558530 10.1021/jm950644v Adrenergic receptor alpha-2 2
8558529 10.1021/jm9506433 Sodium-dependent noradrenaline transporter 1
8558529 10.1021/jm9506433 Adrenergic receptor alpha-1 1
8558530 10.1021/jm950644v Acetylcholinesterase 1
8558529 10.1021/jm9506433 Muscarinic acetylcholine receptor M1 1
8558530 10.1021/jm950644v Muscarinic acetylcholine receptor M1 1
8558529 10.1021/jm9506433 Neuronal acetylcholine receptor 1
8558529 10.1021/jm9506433 D(1A) dopamine receptor 1
8558529 10.1021/jm9506433 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine