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Compound Detail

CHEMBL553031

NAPAMEZOLE HYDROCHLORIDE
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C1=C(CC2=NCCN2)CCc2ccccc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553031
Name NAPAMEZOLE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key QSIVIHAAKDQDHY-UHFFFAOYSA-N
Parent Compound CHEMBL167493
Active Moiety CHEMBL167493

Known Names

Napamezole hcl Napamezole hydrochloride WIN 51,181-2 WIN-51181-2
3
Targets
9
Activities
3
Assay Types
0
PK Parameters
5
Publications
4
Known Names

Molecular Properties

212.3
MW (Da)
2.41
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1985

Extended Properties

Molecular Formula C14H17ClN2
MW 248.76
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.47

Activity Summary

IC50 3 meas. best 6.4
Kd 3 meas. best 7.76
Ki 3 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor alpha-2
CHEMBL2093864
 Kd 7.76 7.76 17.4 2
Adrenergic receptor alpha-2
CHEMBL2093864
 Ki 7.64 7.64 23.0 2
Adrenergic receptor alpha-1
CHEMBL1907610
 Ki 7.11 7.11 78.0 1
Adrenergic receptor alpha-1
CHEMBL1907610
 Kd 6.87 6.87 134.9 1
Rattus norvegicus
CHEMBL376
 IC50 6.4 5.8067 400.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adrenergic receptor alpha-2 Kd = 17.38 nM 7.76 In vitro antagonistic activity against alpha-2 adrenergic receptor in isolated e... 3039138
Adrenergic receptor alpha-2 Kd = 17.38 nM 7.76 In vitro antagonistic activity against alpha-2 adrenergic receptor in isolated e... 3039138
Adrenergic receptor alpha-2 Ki = 23.0 nM 7.64 Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain ... 3039138
Adrenergic receptor alpha-2 Ki = 23.0 nM 7.64 Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain ... 3039138
Adrenergic receptor alpha-1 Ki = 78.0 nM 7.11 Ability to displace [3H]prazosin from alpha-1 adrenergic receptor in rat brain h... 3039138
Adrenergic receptor alpha-1 Kd = 134.9 nM 6.87 In vitro antagonistic activity against alpha-1 adrenergic receptor in isolated e... 3039138
Rattus norvegicus IC50 = 400.0 nM 6.4 Inhibition of [3H]5-HT uptake into rat brain synaptosomes in vitro;Value ranges ... 3039138
Rattus norvegicus IC50 = 2900.0 nM 5.54 Inhibition of [3H]norepinephrine uptake into rat brain synaptosomes in vitro;Val... 3039138
Rattus norvegicus IC50 = 3300.0 nM 5.48 Inhibition of [3H]dopamine uptake into rat brain synaptosomes in vitro;Value ran... 3039138

Literature References

PubMed DOI Target Context # Activities
3039138 10.1021/jm00391a034 Adrenergic receptor alpha-2 4
3039138 10.1021/jm00391a034 Rattus norvegicus 4
3039138 10.1021/jm00391a034 Mus musculus 2
3039138 10.1021/jm00391a034 Adrenergic receptor alpha-1 2
3039138 10.1021/jm00391a034 Unchecked 2

Data from ChEMBL 36 via Core Engine