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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4586 | 125-58-6 |
| Dose | Unit | Route |
|---|---|---|
| 15 | mg | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK12,MAPK7,MET,NTRK2,PDK2,PDK4,PDPK1,PIM2,PRKDC,SIK2,TEK,TGFBR1 | 33 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,PDK4,SIK2 | 5 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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 |
|---|---|---|---|---|---|---|
| Aggression | 275.58 | 73.32 | 89 | 1408 | 44074 | 42575764 |
| Substance abuse | 256.92 | 73.32 | 60 | 1437 | 8845 | 42610993 |
| Drug abuse | 200.70 | 73.32 | 89 | 1408 | 104682 | 42515156 |
| Restlessness | 169.96 | 73.32 | 56 | 1441 | 29193 | 42590645 |
| Logorrhoea | 165.15 | 73.32 | 34 | 1463 | 2773 | 42617065 |
| Bradykinesia | 147.99 | 73.32 | 35 | 1462 | 5401 | 42614437 |
| Dysarthria | 116.77 | 73.32 | 46 | 1451 | 39761 | 42580077 |
| Abnormal behaviour | 115.75 | 73.32 | 41 | 1456 | 26410 | 42593428 |
| Bradyphrenia | 108 | 73.32 | 27 | 1470 | 5235 | 42614603 |
| Psychotic behaviour | 101.62 | 73.32 | 19 | 1478 | 935 | 42618903 |
| Drug dependence | 90.09 | 73.32 | 35 | 1462 | 29059 | 42590779 |
| 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 |
|---|---|---|---|---|---|---|
| Aggression | 398.16 | 68.47 | 107 | 1742 | 59103 | 110528347 |
| Substance abuse | 368.19 | 68.47 | 75 | 1774 | 12388 | 110575062 |
| Drug abuse | 349.72 | 68.47 | 125 | 1724 | 177286 | 110410164 |
| Logorrhoea | 220.14 | 68.47 | 42 | 1807 | 4915 | 110582535 |
| Abnormal behaviour | 217.44 | 68.47 | 61 | 1788 | 38978 | 110548472 |
| Restlessness | 212.38 | 68.47 | 65 | 1784 | 56194 | 110531256 |
| Patient uncooperative | 188.72 | 68.47 | 29 | 1820 | 931 | 110586519 |
| Bradykinesia | 187.57 | 68.47 | 42 | 1807 | 10746 | 110576704 |
| Drug dependence | 164.31 | 68.47 | 52 | 1797 | 49968 | 110537482 |
| Bradyphrenia | 152.20 | 68.47 | 36 | 1813 | 11692 | 110575758 |
| Dysarthria | 148.84 | 68.47 | 55 | 1794 | 84066 | 110503384 |
| Psychotic behaviour | 108.07 | 68.47 | 19 | 1830 | 1406 | 110586044 |
| Gait disturbance | 76.37 | 68.47 | 51 | 1798 | 278157 | 110309293 |
| Miosis | 72.64 | 68.47 | 23 | 1826 | 21960 | 110565490 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N07BC05 | NERVOUS SYSTEM OTHER NERVOUS SYSTEM DRUGS DRUGS USED IN ADDICTIVE DISORDERS Drugs used in opioid dependence |
| CHEBI has role | CHEBI:35482 | opioid analgesic |
| CHEBI has role | CHEBI:51177 | antitussive |
| CHEBI has role | CHEBI:55322 | μ-opioid receptor agonist |
| CHEBI has role | CHEBI:60643 | NMDA receptor antagonist |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Opioid dependence | indication | 75544000 | DOID:2559 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.55 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Opioid receptor | GPCR | Ki | 8.70 | CHEMBL |
| ID | Source |
|---|---|
| D08121 | KEGG_DRUG |
| CHEBI:136003 | CHEBI |
| CHEMBL159659 | ChEMBL_ID |
| 5002 | INN_ID |
| 5967-73-7 | SECONDARY_CAS_RN |
| DB13515 | DRUGBANK_ID |
| 6Y75Z4E8NS | UNII |
| 236913 | RXNORM |
| 007175 | NDDF |
| 007176 | NDDF |
| 1000741000202102 | SNOMEDCT_US |
| 1156227003 | SNOMEDCT_US |
| C0772241 | UMLSCUI |
| A1ESG | PDB_CHEM_ID |
| 22267 | PUBCHEM_CID |
None