Compound Detail
CHEMBL42055
E-FLUPENTIXOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL42055 |
| Name | E-FLUPENTIXOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NJMYODHXAKYRHW-BLLMUTORSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
15
Publications
7
Known Names
2
Indications
Molecular Properties
434.5
MW (Da)
4.60
ALogP
4
HBA
1
HBD
26.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Cocaine-Related Disorders Substance-Related Disorders
Activity Summary
Ki 4 meas. best 7.77
IC50 1 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.42 | 7.42 | 37.8 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 14.79 | nM | 7.83 | The compound was tested for affinity towards sigma-3 receptor | 7990111 |
| Kappa-type opioid receptor | Ki | = | 17.0 | nM | 7.77 | Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radiolig... | 14695830 |
| D(1A) dopamine receptor | Ki | = | 18.0 | nM | 7.75 | Binding affinity of compound towards Dopamine receptor D1 using [3H]SCH-23390 (0... | 9083484 |
| D(1A) dopamine receptor | Ki | = | 37.8 | nM | 7.42 | Binding affinity which represents concentration giving half-maximal inhibition o... | 9748351 |
| Mu-type opioid receptor | Ki | = | 90.0 | nM | 7.05 | Binding affinity against opioid receptor mu 1 using [3H]DAMGO as radioligand in ... | 14695830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6105216 | 10.1021/jm00182a013 | Mus musculus | 2 |
| 6105216 | 10.1021/jm00182a013 | Rattus norvegicus | 2 |
| 6105217 | 10.1021/jm00182a014 | Mus musculus | 2 |
| 6105217 | 10.1021/jm00182a014 | Rattus norvegicus | 2 |
| 8094615 | 10.1016/0006-2952(93)90076-9 | ATP-dependent translocase ABCB1 | 2 |
| 10841799 | 10.1021/jm990968+ | Mus musculus | 1 |
| 9748351 | 10.1021/jm9706832 | D(1A) dopamine receptor | 1 |
| 9083484 | 10.1021/jm950759z | D(1A) dopamine receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Mu-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Delta-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Kappa-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; mu & delta | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; delta & kappa | 1 |
| 7990111 | 10.1021/jm00050a008 | Sigma non-opioid intracellular receptor 1 | 1 |
| 21141825 | 10.1021/jm1011963 | Quinolone resistance protein NorA | 1 |
Data from ChEMBL 36 via Core Engine