Compound Detail
CHEMBL53904
ZUCLOPENTHIXOL 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL53904 |
| Name | ZUCLOPENTHIXOL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | WFPIAZLQTJBIFN-DVZOWYKESA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
20
Publications
5
Known Names
5
Indications
Molecular Properties
401.0
MW (Da)
4.24
ALogP
4
HBA
1
HBD
26.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Anxiety Dementia Depressive Disorder Psychotic Disorders Schizophrenia
ATC Classification
N05AF05
zuclopenthixol
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Activity Summary
IC50 1 meas. best 5.47
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.77 | 6.77 | 169.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.47 | 5.47 | 3377.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 79.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 169.0 | nM | 6.77 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after... | 22537153 |
| Histone deacetylase 6 | IC50 | = | 3377.0 | nM | 5.47 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 6 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| 9599232 | 10.1021/jm970786k | MCF7-DOX | 2 |
| 10891117 | 10.1021/jm0000564 | ADMET | 2 |
| 10891117 | 10.1021/jm0000564 | No relevant target | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine