| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2180 | 84-04-8 |
| Molecule | Description |
|---|---|
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.41 | acidic |
| pKa2 | 8.95 | Basic |
| pKa3 | 2.21 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | GPCR | Ki | 7.80 | DRUG MATRIX | |||||
| D(2) dopamine receptor | GPCR | Ki | 8.87 | DRUG MATRIX | |||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 7.60 | DRUG MATRIX | |||||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 7.32 | DRUG MATRIX | |||||
| Sodium-dependent serotonin transporter | Transporter | Ki | 6.46 | DRUG MATRIX | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 6.35 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 5.99 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 9.26 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 7.51 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 7.96 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 6 | GPCR | Ki | 7.28 | DRUG MATRIX | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 9.11 | DRUG MATRIX | |||||
| D(3) dopamine receptor | GPCR | Ki | 8.80 | DRUG MATRIX | |||||
| Histamine H1 receptor | GPCR | Ki | 8.94 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M5 | GPCR | Ki | 5.65 | DRUG MATRIX | |||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 8.19 | DRUG MATRIX | |||||
| Cytochrome P450 2D6 | Enzyme | IC50 | 7 | DRUG MATRIX | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 9.02 | DRUG MATRIX | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 8.85 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 1B | GPCR | Ki | 5.86 | DRUG MATRIX | |||||
| Membrane-associated progesterone receptor component 1 | Membrane receptor | Ki | 6.43 | DRUG MATRIX | |||||
| Alpha-1A adrenergic receptor | GPCR | IC50 | 8.29 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | IC50 | 5.75 | CHEMBL |
| ID | Source |
|---|---|
| D02606 | KEGG_DRUG |
| C0301468 | UMLSCUI |
| CHEBI:135641 | CHEBI |
| CHEMBL1909072 | ChEMBL_ID |
| 6761 | PUBCHEM_CID |
| 884 | INN_ID |
| 653552FH1N | UNII |
| 89775008 | SNOMEDCT_US |
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