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| Stem definition | Drug id | CAS RN |
|---|---|---|
| psychotropics, phenylpiperazine derivatives | 781 | 72822-12-9 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,MAPK7,MET,NTRK2,PDK2,PDK4,PRKDC | 18 | |||
| kinase-selectivity-class | AXL,GRK2 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 31, 1990 | FDA | FERA PHARMS |
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| Source | Code | Description |
|---|---|---|
| ATC | S01EX02 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIGLAUCOMA PREPARATIONS AND MIOTICS Other antiglaucoma preparations |
| FDA MoA | N0000000099 | Adrenergic alpha-Antagonists |
| FDA EPC | N0000175553 | alpha-Adrenergic Blocker |
| MeSH PA | D000317 | Adrenergic alpha-Antagonists |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014149 | Tranquilizing Agents |
| MeSH PA | D014150 | Antipsychotic Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018674 | Adrenergic Antagonists |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:37890 | α-adrenergic antagonist |
| CHEBI has role | CHEBI:39456 | antiglaucoma drug |
| CHEBI has role | CHEBI:51068 | miotic |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Reverse Mydriasis from Ophthalmic Adrenergic or Anticholinergic Agent | indication | ||
| Iritis | contraindication | 65074000 | DOID:1406 |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.09 | Basic |
| pKa2 | 5.35 | Basic |
| pKa3 | 0.92 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | GPCR | ANTAGONIST | WOMBAT-PK | CHEMBL | |||||
| Alpha-1D adrenergic receptor | GPCR | ANTAGONIST | Ki | 8.39 | DRUG MATRIX | IUPHAR | |||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 6.17 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 6.49 | DRUG MATRIX | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.28 | DRUG MATRIX | |||||
| Alpha-1B adrenergic receptor | GPCR | WOMBAT-PK | |||||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 5.93 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 6.76 | DRUG MATRIX | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 7.52 | DRUG MATRIX | |||||
| Alpha-1A adrenergic receptor | GPCR | IC50 | 7.02 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | IC50 | 5.69 | CHEMBL |
| ID | Source |
|---|---|
| 4020111 | VUID |
| N0000148101 | NUI |
| D03648 | KEGG_DRUG |
| 72822-13-0 | SECONDARY_CAS_RN |
| 22298 | RXNORM |
| C0057143 | UMLSCUI |
| CHEBI:51066 | CHEBI |
| CHEMBL1201216 | ChEMBL_ID |
| CHEMBL1201044 | ChEMBL_ID |
| DB00298 | DRUGBANK_ID |
| C035289 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3033538 | PUBCHEM_CID |
| 7155 | IUPHAR_LIGAND_ID |
| 4983 | INN_ID |
| 5RNZ8GJO7K | UNII |
| 4535 | MMSL |
| 003595 | NDDF |
| 003596 | NDDF |
| 108840006 | SNOMEDCT_US |
| 108842003 | SNOMEDCT_US |
| 372549002 | SNOMEDCT_US |
| 4020111 | VANDF |
| 4020523 | VANDF |
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