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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1721 | 54-49-9 |
| Dose | Unit | Route |
|---|---|---|
| 50 | mg | P |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 49.82 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK2,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 | 34 | |||
| kinase-selectivity-class | AXL,EIF2AK3,EPHB4,GRK2,MAP2K6 | 5 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 29, 1954 | FDA |
| 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 |
|---|---|---|---|---|---|---|
| Mental status changes postoperative | 71.86 | 52.80 | 9 | 512 | 189 | 90627737 |
| Confusion postoperative | 69.72 | 52.80 | 9 | 512 | 242 | 90627684 |
| Stress cardiomyopathy | 64.42 | 52.80 | 15 | 506 | 13340 | 90614586 |
| Maternal exposure during delivery | 57.45 | 52.80 | 11 | 510 | 3835 | 90624091 |
| 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 |
|---|---|---|---|---|---|---|
| Respiratory failure | 78.12 | 68.42 | 30 | 264 | 128102 | 42492939 |
| 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 |
|---|---|---|---|---|---|---|
| Anaphylactic reaction | 77.91 | 49.78 | 30 | 803 | 114270 | 110474196 |
| Respiratory failure | 71.71 | 49.78 | 34 | 799 | 215298 | 110373168 |
| Mental status changes postoperative | 60.31 | 49.78 | 8 | 825 | 201 | 110588265 |
| Confusion postoperative | 55.78 | 49.78 | 8 | 825 | 360 | 110588106 |
| Stress cardiomyopathy | 52.98 | 49.78 | 14 | 819 | 15792 | 110572674 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C01CA09 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES Adrenergic and dopaminergic agents |
| MeSH PA | D000316 | Adrenergic alpha-Agonists |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D013566 | Sympathomimetics |
| MeSH PA | D014662 | Vasoconstrictor Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D058646 | Adrenergic alpha-1 Receptor Agonists |
| CHEBI has role | CHEBI:35524 | sympathomimetic agent |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35569 | ฮฑ-adrenergic agonist |
| CHEBI has role | CHEBI:50514 | vasoconstrictor agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Low blood pressure | indication | 45007003 | |
| Priapism | off-label use | 6273006 | DOID:9286 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.51 | acidic |
| pKa2 | 12.54 | acidic |
| pKa3 | 8.86 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | GPCR | AGONIST | WOMBAT-PK | CHEMBL | |||||
| Macrophage migration inhibitory factor | Cytokine | Ki | 4.11 | CHEMBL |
| ID | Source |
|---|---|
| 4017958 | VUID |
| N0000178937 | NUI |
| D01019 | KEGG_DRUG |
| 33402-03-8 | SECONDARY_CAS_RN |
| 4017958 | VANDF |
| 4019818 | VANDF |
| C0025575 | UMLSCUI |
| CHEBI:6794 | CHEBI |
| CHEMBL1201319 | ChEMBL_ID |
| DB00610 | DRUGBANK_ID |
| CHEMBL2062262 | ChEMBL_ID |
| D008680 | MESH_DESCRIPTOR_UI |
| 5906 | PUBCHEM_CID |
| 34 | INN_ID |
| 7229 | IUPHAR_LIGAND_ID |
| 818U2PZ2EH | UNII |
| 6805 | RXNORM |
| 5061 | MMSL |
| d00702 | MMSL |
| 001824 | NDDF |
| 004735 | NDDF |
| 372728001 | SNOMEDCT_US |
| 41015006 | SNOMEDCT_US |
| 58461000 | SNOMEDCT_US |
None