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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1753 | 390-28-3 |
| Dose | Unit | Route |
|---|---|---|
| 30 | mg | P |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.58 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,IGF1R,IKBKB,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MET,MTOR,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ZAP70 | 45 | |||
| kinase-selectivity-class | AXL,BRAF,EIF2AK3,GRK2,MAP2K6,PDK4 | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | GLAXOSMITHKLINE |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C01CA10 | 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:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35569 | ฮฑ-adrenergic agonist |
| CHEBI has role | CHEBI:137431 | antihypotensive agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Low blood pressure | indication | 45007003 | |
| Paroxysmal supraventricular tachycardia | indication | 67198005 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.7 | acidic |
| pKa2 | 8.68 | 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 | EC50 | 5.10 | WOMBAT-PK | CHEMBL | |||
| Alpha-1D adrenergic receptor | GPCR | AGONIST | EC50 | 4.90 | WOMBAT-PK | CHEMBL | |||
| Alpha-1B adrenergic receptor | GPCR | AGONIST | Ki | 4 | IUPHAR | CHEMBL | |||
| Alpha-1D adrenergic receptor | GPCR | AGONIST | Ki | 4.50 | IUPHAR | ||||
| Adrenergic receptor alpha-2 | GPCR | IC50 | 5.44 | CHEMBL |
| ID | Source |
|---|---|
| 4019829 | VUID |
| N0000147917 | NUI |
| D01020 | KEGG_DRUG |
| 4018779 | VANDF |
| 4019829 | VANDF |
| C0025681 | UMLSCUI |
| CHEBI:6839 | CHEBI |
| CHEMBL524 | ChEMBL_ID |
| DB00723 | DRUGBANK_ID |
| CHEMBL1201103 | ChEMBL_ID |
| D008729 | MESH_DESCRIPTOR_UI |
| 6082 | PUBCHEM_CID |
| 483 | IUPHAR_LIGAND_ID |
| 209 | INN_ID |
| 61-16-5 | SECONDARY_CAS_RN |
| HUQ1KC1YLI | UNII |
| 203187 | RXNORM |
| 5079 | MMSL |
| d00703 | MMSL |
| 001798 | NDDF |
| 004723 | NDDF |
| 21303006 | SNOMEDCT_US |
| 372769005 | SNOMEDCT_US |
| 54406003 | SNOMEDCT_US |
| HUQ1KC1YLI | INXIGHT DRUGS |
None