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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1022 | 64840-90-0 |
| Dose | Unit | Route |
|---|---|---|
| 0.15 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 5 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K7,MAPK10,MAPK12,MAPK7,MAPKAPK2,MET,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK | 39 | |||
| kinase-selectivity-class | AXL,BRAF,EIF2AK3,EPHB4,GRK2,PDK4,SIK2,TTK | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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 |
|---|---|---|---|---|---|---|
| Spinal compression fracture | 38.00 | 34.99 | 11 | 767 | 15167 | 90612502 |
| 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 |
|---|---|---|---|---|---|---|
| Hypokalaemia | 28.98 | 28.55 | 17 | 717 | 71704 | 42548897 |
| 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 |
|---|---|---|---|---|---|---|
| Hepatic function abnormal | 46.02 | 26.54 | 24 | 1689 | 89271 | 110498315 |
| Spinal compression fracture | 37 | 26.54 | 13 | 1700 | 18379 | 110569207 |
| Hypokalaemia | 36.94 | 26.54 | 27 | 1686 | 182421 | 110405165 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M03BX09 | MUSCULO-SKELETAL SYSTEM MUSCLE RELAXANTS MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS Other centrally acting agents |
| MeSH PA | D000077264 | Calcium-Regulating Hormones and Agents |
| MeSH PA | D000927 | Anticonvulsants |
| MeSH PA | D002121 | Calcium Channel Blockers |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D009125 | Muscle Relaxants, Central |
| MeSH PA | D009465 | Neuromuscular Agents |
| MeSH PA | D010276 | Parasympatholytics |
| MeSH PA | D014665 | Vasodilator Agents |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D049990 | Membrane Transport Modulators |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:51371 | muscle relaxant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Spasm | indication | 45352006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.68 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 8.77 | DRUG MATRIX | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 5.86 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 6.08 | DRUG MATRIX | |||||
| Cytochrome P450 2D6 | Enzyme | IC50 | 5.31 | DRUG MATRIX |
| ID | Source |
|---|---|
| D01671 | KEGG_DRUG |
| C0043606 | UMLSCUI |
| CHEBI:77069 | CHEBI |
| CHEMBL1902981 | ChEMBL_ID |
| DB08992 | DRUGBANK_ID |
| C030848 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3236 | PUBCHEM_CID |
| 5153 | INN_ID |
| 56839-43-1 | SECONDARY_CAS_RN |
| 2M2P0551D3 | UNII |
| 010914 | NDDF |
| 010915 | NDDF |
| 1343341005 | SNOMEDCT_US |
| 1343537007 | SNOMEDCT_US |
None