Compound Detail
CHEMBL3039528
ZICRONAPINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL3039528 |
| Name | ZICRONAPINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | BYPMJBXPNZMNQD-PZJWPPBQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
4
Known Names
1
Indications
Molecular Properties
354.9
MW (Da)
4.94
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Schizophrenia
Activity Summary
Ki 2 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 0.13 | nM | 9.89 | Binding affinity to human dopamine D1 receptor | 32976928 |
| D(2) dopamine receptor | Ki | = | 28.0 | nM | 7.55 | Binding affinity to human dopamine D2 receptor | 32976928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32976928 | 10.1016/j.bmcl.2020.127563 | Unchecked | 4 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Cytochrome P450 2C19 | 4 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Cytochrome P450 3A4 | 4 |
| 32976928 | 10.1016/j.bmcl.2020.127563 | ADMET | 1 |
| 32976928 | 10.1016/j.bmcl.2020.127563 | D(2) dopamine receptor | 1 |
| 32976928 | 10.1016/j.bmcl.2020.127563 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine