Compound Detail
CHEMBL15023
TRIFLUPERIDOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL15023 |
| Name | TRIFLUPERIDOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GPMXUUPHFNMNDH-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
6
Targets
7
Activities
3
Assay Types
0
PK Parameters
11
Publications
4
Known Names
1
Indications
Molecular Properties
409.4
MW (Da)
4.79
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Psychotic Disorders
ATC Classification
N05AD02
trifluperidol
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Activity Summary
Ki 5 meas. best 9.82
EC50 1 meas.
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-8 sterol isomerase ERG2 CHEMBL3224 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL4931 | Ki | 6.78 | 6.78 | 165.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.71 | 4.71 | 19700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-8 sterol isomerase ERG2 | Ki | = | 0.15 | nM | 9.82 | Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pe... | 16033255 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.8 | nM | 9.1 | Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane b... | 19673530 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.83 | nM | 9.08 | Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H... | 16033255 |
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 165.0 | nM | 6.78 | Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerev... | 16033255 |
| Cytochrome P450 2D6 | Ki | = | 170.0 | nM | 6.77 | Inhibitory constant for cytochrome P450 2D6 | 8487254 |
| Bile salt export pump | IC50 | = | 19700.0 | nM | 4.71 | Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21... | 22961681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18262683 | 10.1016/j.ejmech.2007.12.025 | Cavia porcellus | 3 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 8487254 | 10.1021/jm00061a004 | Cytochrome P450 2D6 | 1 |
| 16033255 | 10.1021/jm049073+ | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | 1 |
| 16033255 | 10.1021/jm049073+ | Sigma non-opioid intracellular receptor 1 | 1 |
| 16033255 | 10.1021/jm049073+ | C-8 sterol isomerase ERG2 | 1 |
| 19673530 | 10.1021/jm900366z | Sigma non-opioid intracellular receptor 1 | 1 |
| 20020916 | 10.1080/15376510701857262 | Phospholipidosis | 1 |
| 21413808 | 10.1021/jm1013693 | Unchecked | 1 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
Data from ChEMBL 36 via Core Engine