| Stem definition | Drug id | CAS RN |
|---|---|---|
| 91 | 56-65-5 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 2.67 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Sudden hearing loss | 38.74 | 33.47 | 7 | 409 | 1962 | 79742010 |
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000889 | Anti-Arrhythmia Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D058913 | Purinergic Agonists |
| MeSH PA | D058906 | Purinergic P1 Receptor Agonists |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D014665 | Vasodilator Agents |
| CHEBI has role | CHEBI:23357 | cofactor |
| CHEBI has role | CHEBI:27027 | trace elements |
| CHEBI has role | CHEBI:50733 | Dietary Supplement |
| CHEBI has role | CHEBI:78675 | fundamental metabolites |
| FDA MoA | N0000175788 | Adenosine Receptor Agonists |
| FDA EPC | N0000178375 | Adenosine Receptor Agonist |
| CHEBI has role | CHEBI:35620 | vasodilator agents |
| CHEBI has role | CHEBI:38070 | antiarrhythmic agent |
| CHEBI has role | CHEBI:77746 | Homo sapiens metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Supraventricular arrhythmia | indication | 72654001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.0 | acidic |
| pKa2 | 3.35 | acidic |
| pKa3 | 6.05 | acidic |
| pKa4 | 11.94 | acidic |
| pKa5 | 13.04 | acidic |
| pKa6 | 3.95 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| P2X purinoceptor 1 | Ion channel | AGONIST | EC50 | 7.25 | IUPHAR | ||||
| P2Y purinoceptor 4 | GPCR | Ki | 6.20 | CHEMBL | |||||
| Tyrosine-protein kinase JAK2 | Kinase | Kd | 5.89 | CHEMBL | |||||
| P2Y purinoceptor 1 | GPCR | EC50 | 6.07 | CHEMBL | |||||
| P2Y purinoceptor 2 | GPCR | AGONIST | EC50 | 7.10 | IUPHAR | ||||
| P2Y purinoceptor 11 | GPCR | EC50 | 5.17 | CHEMBL | |||||
| Transient receptor potential cation channel subfamily M member 4 | Ion channel | BLOCKER | IC50 | 5.80 | IUPHAR | ||||
| P2Y purinoceptor 13 | GPCR | AGONIST | IC50 | 5.40 | IUPHAR | ||||
| MAP kinase-activated protein kinase 2 | Kinase | IC50 | 5.55 | CHEMBL | |||||
| Mitogen-activated protein kinase kinase kinase 7 | Kinase | Kd | 5.55 | CHEMBL | |||||
| P2X purinoceptor 4 | Ion channel | AGONIST | EC50 | 6.30 | IUPHAR | ||||
| Uracil nucleotide/cysteinyl leukotriene receptor | GPCR | AGONIST | EC50 | 7.43 | IUPHAR | ||||
| P2X purinoceptor 3 | Ion channel | Ki | 7.84 | PDSP | |||||
| Heat shock protein 75 kDa, mitochondrial | Unclassified | IC50 | 4.50 | CHEMBL | |||||
| Heat shock cognate 71 kDa protein | Unclassified | IC50 | 4.76 | CHEMBL | |||||
| Heat shock 70 kDa protein 1A | Unclassified | IC50 | 5.47 | CHEMBL | |||||
| P2Y purinoceptor 1 | GPCR | EC50 | 5.55 | CHEMBL | |||||
| Endoplasmin | Membrane other | IC50 | 5.49 | CHEMBL | |||||
| Adenylate kinase 2 | Kinase | Ki | 4.05 | CHEMBL | |||||
| Transient receptor potential cation channel subfamily M member 4 | Ion channel | BLOCKER | IC50 | 6.10 | IUPHAR | ||||
| P2X purinoceptor 2 | Ion channel | AGONIST | EC50 | 5.85 | IUPHAR | ||||
| P2X purinoceptor 4 | Ion channel | AGONIST | EC50 | 6 | IUPHAR | ||||
| P2Y purinoceptor 4 | GPCR | AGONIST | EC50 | 6.30 | IUPHAR | ||||
| P2X purinoceptor 4 | Ion channel | AGONIST | EC50 | 5.30 | IUPHAR | ||||
| P2X purinoceptor 6 | Ion channel | AGONIST | EC50 | 6 | IUPHAR | ||||
| P2X purinoceptor 5 | Ion channel | AGONIST | EC50 | 6 | IUPHAR |
| ID | Source |
|---|---|
| 4029344 | VUID |
| N0000180300 | NUI |
| D02300 | KEGG_DRUG |
| 296 | RXNORM |
| C0001480 | UMLSCUI |
| CHEBI:15422 | CHEBI |
| CHEBI:16335 | CHEBI |
| ADN | PDB_CHEM_ID |
| CHEMBL14249 | ChEMBL_ID |
| D000255 | MESH_DESCRIPTOR_UI |
| DB00171 | DRUGBANK_ID |
| 1713 | IUPHAR_LIGAND_ID |
| 8L70Q75FXE | UNII |
| 5957 | PUBCHEM_CID |
| 108502004 | SNOMEDCT_US |
| 35431001 | SNOMEDCT_US |
| 76711004 | SNOMEDCT_US |
| C0001443 | UMLSCUI |
| DB00640 | DRUGBANK_ID |
| 4019507 | VANDF |
| 4029344 | VANDF |
| 4135 | MMSL |
| 57772 | MMSL |
| d00164 | MMSL |
| D000241 | MESH_DESCRIPTOR_UI |
| 60961 | PUBCHEM_CID |
| 003603 | NDDF |
| 004233 | NDDF |
| 004537 | NDDF |
| 004813 | NDDF |
None