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Compound Detail

CHEMBL69759

SONEPIPRAZOLE
🧪 Phase II
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🧪 Phase II
NS(=O)(=O)c1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1

Basic Information

ChEMBL ID CHEMBL69759
Name SONEPIPRAZOLE
Phase Phase II
Structure Type MOL
InChI Key WNUQCGWXPNGORO-NRFANRHFSA-N

Known Names

Sonepiprazol Sonepiprazole U-101387
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

401.5
MW (Da)
2.16
ALogP
5
HBA
1
HBD
75.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -prazole
USAN Year 1998

Extended Properties

Molecular Formula C21H27N3O3S
MW 401.53
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.29

Activity Summary

Ki 6 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(4) dopamine receptor
CHEMBL219
Ki 8.44 8.305 3.6 2
D(4) dopamine receptor
CHEMBL3361
Ki 8.14 8.14 7.2 1
Unchecked
CHEMBL612545
Ki 8.0 8.0 10.1 1
D(2) dopamine receptor
CHEMBL217
Ki 5.29 5.29 5147.0 1
D(3) dopamine receptor
CHEMBL3138
Ki 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11170639 10.1021/jm0002432 Rodentia sp. 6
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
10999484 10.1016/s0960-894x(00)00421-2 D(2) dopamine receptor 1
28489950 10.1021/acs.jmedchem.7b00151 D(4) dopamine receptor 1
28489950 10.1021/acs.jmedchem.7b00151 Histamine H1 receptor 1
28489950 10.1021/acs.jmedchem.7b00151 Alpha-2A adrenergic receptor 1
28489950 10.1021/acs.jmedchem.7b00151 5-hydroxytryptamine receptor 2A 1
28489950 10.1021/acs.jmedchem.7b00151 5-hydroxytryptamine receptor 1A 1
28489950 10.1021/acs.jmedchem.7b00151 D(3) dopamine receptor 1
28489950 10.1021/acs.jmedchem.7b00151 D(2) dopamine receptor 1
28489950 10.1021/acs.jmedchem.7b00151 D(1A) dopamine receptor 1
10999484 10.1016/s0960-894x(00)00421-2 D(4) dopamine receptor 1
8691438 10.1021/jm960084f D(1A) dopamine receptor 1
11170639 10.1021/jm0002432 D(4) dopamine receptor 1
8691438 10.1021/jm960084f Adrenergic receptor alpha-2 1
8691438 10.1021/jm960084f Adrenergic receptor alpha-1 1
8691438 10.1021/jm960084f Serotonin 2 (5-HT2) receptor 1
8691438 10.1021/jm960084f 5-hydroxytryptamine receptor 1A 1
8691438 10.1021/jm960084f D(4) dopamine receptor 1
8691438 10.1021/jm960084f D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine