Compound Detail
CHEMBL3989478
THIETHYLPERAZINE MALEATE 💊 Approved Drug
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💊 Approved Drug
CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3989478 |
| Name | THIETHYLPERAZINE MALEATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RVBRTNPNFYFDMZ-SPIKMXEPSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1378 |
| Active Moiety | CHEMBL1378 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
6
Known Names
1
Mechanisms
Molecular Properties
399.6
MW (Da)
5.04
ALogP
5
HBA
0
HBD
9.7
PSA (Ų)
0.63
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1961 |
| Availability | Discontinued |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dopamine D2 receptor antagonist | ANTAGONIST | D(2) dopamine receptor | ✓ | ✓ |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.15 | 5.125 | 7090.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 7090.0 | nM | 5.15 | IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 da... | - |
| SARS-CoV-2 | IC50 | = | 8020.0 | nM | 5.1 | IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 day... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1101/2020.03.25.008482 | SARS-CoV-2 | 2 |
| - | 10.1101/2020.03.25.008482 | Vero C1008 | 2 |
| - | 10.1101/2020.03.25.008482 | ADMET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine