Compound Detail
CHEMBL54661
Z-FLUPENTIXOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL54661 |
| Name | Z-FLUPENTIXOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJMYODHXAKYRHW-DVZOWYKESA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
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
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.73
IC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 8.65 | 8.65 | 2.2 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.73 | 6.4533 | 187.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 0.3 | nM | 9.52 | In vivo binding affinity against dopamine (D1) receptor in rat caudate-putamen t... | 14592497 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 2.239 | nM | 8.65 | The compound was tested for affinity towards sigma-3 receptor | 7990111 |
| Dopamine receptor | IC50 | = | 3.0 | nM | 8.52 | Ability to displace [3H]haloperidol from rat striatal membranes, in order to mea... | 6134833 |
| NON-PROTEIN TARGET | EC50 | = | 187.0 | nM | 6.73 | Antiproliferative activity against mouse medulloblastoma cells harboring heteroz... | 17417631 |
| NON-PROTEIN TARGET | EC50 | = | 199.0 | nM | 6.7 | Antiproliferative activity against mouse neural precursor cells by MTT assay | 17417631 |
| NON-PROTEIN TARGET | EC50 | = | 1182.0 | nM | 5.93 | Antiproliferative activity against mouse astrocyte cells by MTT assay | 17417631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17417631 | 10.1038/nchembio873 | NON-PROTEIN TARGET | 4 |
| 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 |
| 6134833 | 10.1021/jm00361a002 | Rattus norvegicus | 2 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 2 |
| 6134833 | 10.1021/jm00361a002 | Mus musculus | 1 |
| 6134833 | 10.1021/jm00361a002 | Dopamine receptor | 1 |
| 10841799 | 10.1021/jm990968+ | Mus musculus | 1 |
| 14592497 | 10.1016/j.bmcl.2003.08.063 | D(1A) dopamine receptor | 1 |
| 9599232 | 10.1021/jm970786k | MCF7-DOX | 1 |
| 10447948 | 10.1021/jm980428x | Histamine H2 receptor | 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