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Compound Detail

CHEMBL9434

PHENYLPIPERAZINE
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c1ccc(N2CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL9434
Name PHENYLPIPERAZINE
Phase Preclinical
Structure Type MOL
InChI Key YZTJYBJCZXZGCT-UHFFFAOYSA-N
10
Targets
19
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
1.10
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.66
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 C10H14N2
MW 162.24
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.15

Activity Summary

Ki 18 meas. best 7.2
IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1B
CHEMBL3459
 Ki 7.2 7.2 63.3 1
Serotonin 1 (5-HT1) receptor
CHEMBL2095159
 Ki 6.87 6.85 135.0 2
Unchecked
CHEMBL612545
 Ki 6.87 6.87 135.0 1
5-hydroxytryptamine receptor 1A
CHEMBL273
 Ki 6.83 6.3586 149.0 7
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
 Ki 6.17 5.925 668.0 2
Adrenergic receptor alpha-1
CHEMBL1907610
 Ki 6.1 6.1 794.0 1
Beta-1 adrenergic receptor
CHEMBL213
 Ki 5.87 5.87 1349.0 1
Serotonin 3 (5-HT3) receptor
CHEMBL2094132
 Ki 5.52 5.52 3000.0 1
D(2) dopamine receptor
CHEMBL339
 Ki 5.17 5.17 6800.0 1
Sigma non-opioid intracellular receptor 1
CHEMBL287
 Ki 4.94 4.94 11440.0 1
Beta-1 adrenergic receptor
CHEMBL213
 IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 1B Ki = 63.3 nM 7.2 Binding affinity at rat 5-hydroxytryptamine 1B receptor by [3H]5-HT displacement... 2565400
Serotonin 1 (5-HT1) receptor Ki = 135.0 nM 6.87 Binding affinity towards 5-hydroxytryptamine 1 receptor was determined 3543362
Unchecked Ki = 135.0 nM 6.87 Displacement of [3H]5-HT from 5-hydroxytryptamine 1 receptor of rat cortical mem... 3783595
5-hydroxytryptamine receptor 1A Ki = 149.0 nM 6.83 Binding affinity at rat 5-hydroxytryptamine 1A receptor by [3H]WB-4101 displacem... 2565400
Serotonin 1 (5-HT1) receptor Ki = 149.0 nM 6.83 Inhibition of [3H]5-HT radioligand binding against 5-hydroxytryptamine 1 recepto... 2565400
5-hydroxytryptamine receptor 1A Ki = 380.0 nM 6.42 Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat br... 3172131
5-hydroxytryptamine receptor 1A Ki = 380.0 nM 6.42 Binding affinity towards rat 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT... 8893838
5-hydroxytryptamine receptor 1A Ki = 380.19 nM 6.42 Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... 8568799
5-hydroxytryptamine receptor 1A Ki = 500.0 nM 6.3 Displacement of [3H]2-(di-N-propylamino)-8-hydroxytetralin from central 5-hydrox... 7783126
5-hydroxytryptamine receptor 1A Ki = 500.0 nM 6.3 Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-... 9022796
Serotonin 2 (5-HT2) receptor Ki = 668.0 nM 6.17 Binding affinity at rat 5-hydroxytryptamine 2 receptor by [3H]ketanserin displac... 2565400
Adrenergic receptor alpha-1 Ki = 794.0 nM 6.1 Binding affinity against rat Alpha-1 adrenergic receptor. 2565400
Beta-1 adrenergic receptor Ki = 1348.96 nM 5.87 Displacement of [3H]dihydroalprenolol from human wild type beta1 adrenergic rece... 23517028
5-hydroxytryptamine receptor 1A Ki = 1513.56 nM 5.82 Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... 8568799
Serotonin 2 (5-HT2) receptor Ki = 2100.0 nM 5.68 Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortic... 3783595
Serotonin 3 (5-HT3) receptor Ki = 3000.0 nM 5.52 Compound was tested for the inhibition of [3H]GR-65630 binding to 5-hydroxytrypt... 8831767
D(2) dopamine receptor Ki = 6800.0 nM 5.17 In vitro displacement of [3H]spiperone from Dopamine receptor D2 binding site in... 9022796
Sigma non-opioid intracellular receptor 1 Ki = 11440.0 nM 4.94 Binding affinity towards sigma receptor in guinea pig brain membranes using [3H]... 1662725
Beta-1 adrenergic receptor IC50 = 19000.0 nM 4.72 Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalpreno... 1347318

Literature References

PubMed DOI Target Context # Activities
3783595 10.1021/jm00161a038 Rattus norvegicus 12
8568799 10.1021/jm950410b 5-hydroxytryptamine receptor 1A 2
2565400 10.1021/jm00125a020 Rattus norvegicus 2
3172131 10.1021/jm00118a018 5-hydroxytryptamine receptor 1A 2
2565400 10.1021/jm00125a020 Serotonin 2 (5-HT2) receptor 1
26101578 10.1021/acsmedchemlett.5b00146 No relevant target 1
9022796 10.1021/jm960496o D(2) dopamine receptor 1
9022796 10.1021/jm960496o 5-hydroxytryptamine receptor 1A 1
8893838 10.1021/jm960416g 5-hydroxytryptamine receptor 1A 1
3783595 10.1021/jm00161a038 Serotonin 2 (5-HT2) receptor 1
3783595 10.1021/jm00161a038 Unchecked 1
8831767 10.1021/jm9603936 Serotonin 3 (5-HT3) receptor 1
1662725 10.1021/jm00116a003 Sigma non-opioid intracellular receptor 1 1
2565400 10.1021/jm00125a020 Serotonin 1 (5-HT1) receptor 1
2565400 10.1021/jm00125a020 5-hydroxytryptamine receptor 1B 1
2565400 10.1021/jm00125a020 5-hydroxytryptamine receptor 1A 1
2565400 10.1021/jm00125a020 D(2) dopamine receptor 1
2565400 10.1021/jm00125a020 D(1A) dopamine receptor 1
2565400 10.1021/jm00125a020 Adrenergic receptor alpha-1 1
7783126 10.1021/jm00011a014 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine