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Compound Detail

CHEMBL340211

AZAPERONE
🧪 Phase II
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🧪 Phase II
O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340211
Name AZAPERONE
Phase Phase II
Structure Type MOL
InChI Key XTKDAFGWCDAMPY-UHFFFAOYSA-N

Known Names

Azaperona Azaperone Azaperone for veterinary use NSC-170976 R 1929 R-1929
10
Targets
36
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names

Molecular Properties

327.4
MW (Da)
3.01
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -perone
USAN Year 1967

Extended Properties

Molecular Formula C19H22FN3O
MW 327.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.99

Activity Summary

Ki 36 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(4) dopamine receptor
CHEMBL219
 Ki 8.2 8.185 6.3 4
5-hydroxytryptamine receptor 1A
CHEMBL214
 Ki 8.12 8.105 7.6 4
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 7.34 7.27 45.7 4
Sigma intracellular receptor 2
CHEMBL4105907
 Ki 7.3 7.29 50.1 2
Sigma 2 receptor
CHEMBL613288
 Ki 7.29 7.29 51.0 1
D(2) dopamine receptor
CHEMBL217
 Ki 7.28 6.768 52.0 5
D(3) dopamine receptor
CHEMBL234
 Ki 7.28 7.124 53.0 5
5-hydroxytryptamine receptor 7
CHEMBL3155
 Ki 6.94 6.93 114.8 4
Sigma non-opioid intracellular receptor 1
CHEMBL287
 Ki 6.47 6.4167 342.0 3
5-hydroxytryptamine receptor 2C
CHEMBL225
 Ki 5.87 5.84 1349.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(4) dopamine receptor Ki = 6.31 nM 8.2 Displacement of [3H]N-methylspiperone from human dopamine D4 receptor incubated ... 33582388
D(4) dopamine receptor Ki = 6.31 nM 8.2 Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor by liquid... 33338898
D(4) dopamine receptor Ki = 6.7 nM 8.17 Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor by liquid... 33338898
D(4) dopamine receptor Ki = 6.7 nM 8.17 Displacement of [3H]N-methylspiperone from human dopamine D4 receptor incubated ... 33582388
5-hydroxytryptamine receptor 1A Ki = 7.586 nM 8.12 Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor by liquid scintillation... 33338898
5-hydroxytryptamine receptor 1A Ki = 7.586 nM 8.12 Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor incubated for 1 hr by ... 33582388
5-hydroxytryptamine receptor 1A Ki = 8.1 nM 8.09 Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor by liquid scintillation... 33338898
5-hydroxytryptamine receptor 1A Ki = 8.1 nM 8.09 Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor incubated for 1 hr by ... 33582388
5-hydroxytryptamine receptor 2A Ki = 45.71 nM 7.34 Displacement of [3H]-ketanserin from human 5HT2A receptor by liquid scintillatio... 33338898
5-hydroxytryptamine receptor 2A Ki = 45.71 nM 7.34 Displacement of [3H]-Ketanserin from human 5-HT2A receptor incubated for 1 hr by... 33582388
Sigma intracellular receptor 2 Ki = 50.12 nM 7.3 Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK ce... 30737135
Sigma 2 receptor Ki = 51.0 nM 7.29 Tested for [3H]DTG binding to sigma-2 receptor in NG108-15 cell membranes 7902870
D(2) dopamine receptor Ki = 52.0 nM 7.28 Displacement of [3H]spiperone from CHO-K1 cell membranes expressing human dopami... 7902870
D(3) dopamine receptor Ki = 53.0 nM 7.28 Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopam... 7902870
Sigma intracellular receptor 2 Ki = 52.0 nM 7.28 Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK ce... 30737135
5-hydroxytryptamine receptor 2A Ki = 62.7 nM 7.2 Displacement of [3H]-ketanserin from human 5HT2A receptor by liquid scintillatio... 33338898
5-hydroxytryptamine receptor 2A Ki = 62.7 nM 7.2 Displacement of [3H]-Ketanserin from human 5-HT2A receptor incubated for 1 hr by... 33582388
D(3) dopamine receptor Ki = 75.86 nM 7.12 Displacement of [3H]N-methylspiperone from human dopamine D3 receptor incubated ... 33582388
D(3) dopamine receptor Ki = 75.86 nM 7.12 Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor by liquid... 33338898
D(3) dopamine receptor Ki = 89.7 nM 7.05 Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor by liquid... 33338898

Literature References

PubMed DOI Target Context # Activities
33582388 10.1016/j.ejmech.2021.113243 5-hydroxytryptamine receptor 2C 2
33338898 10.1016/j.bmc.2020.115943 5-hydroxytryptamine receptor 2C 2
33338898 10.1016/j.bmc.2020.115943 5-hydroxytryptamine receptor 2A 2
33338898 10.1016/j.bmc.2020.115943 5-hydroxytryptamine receptor 1A 2
33338898 10.1016/j.bmc.2020.115943 D(4) dopamine receptor 2
33338898 10.1016/j.bmc.2020.115943 D(3) dopamine receptor 2
33338898 10.1016/j.bmc.2020.115943 D(2) dopamine receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
33338898 10.1016/j.bmc.2020.115943 5-hydroxytryptamine receptor 7 2
30737135 10.1016/j.bmc.2019.01.035 Sigma intracellular receptor 2 2
33582388 10.1016/j.ejmech.2021.113243 D(3) dopamine receptor 2
30737135 10.1016/j.bmc.2019.01.035 Sigma non-opioid intracellular receptor 1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
33582388 10.1016/j.ejmech.2021.113243 5-hydroxytryptamine receptor 1A 2
33582388 10.1016/j.ejmech.2021.113243 D(2) dopamine receptor 2
33582388 10.1016/j.ejmech.2021.113243 5-hydroxytryptamine receptor 7 2
33582388 10.1016/j.ejmech.2021.113243 D(4) dopamine receptor 2
33582388 10.1016/j.ejmech.2021.113243 5-hydroxytryptamine receptor 2A 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine