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| Stem definition | Drug id | CAS RN |
|---|---|---|
| beta-adrenoreceptor antagonists | 1779 | 22664-55-7 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 50 % |
| 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,IKBKB,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MET,NTRK2,PDK2,PDK4,PIK3CB,PIK3CG,PIM2,PLK1,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ZAP70 | 42 | |||
| kinase-selectivity-class | AXL,BRAF,CDK4,PDK4 | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 29, 1989 | FDA | BAUSCH AND LOMB |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C07BA68 | CARDIOVASCULAR SYSTEM BETA BLOCKING AGENTS BETA BLOCKING AGENTS AND THIAZIDES Beta blocking agents, non-selective, and thiazides |
| ATC | S01ED04 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIGLAUCOMA PREPARATIONS AND MIOTICS Beta blocking agents |
| ATC | S01ED54 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIGLAUCOMA PREPARATIONS AND MIOTICS Beta blocking agents |
| FDA MoA | N0000000161 | Adrenergic beta-Antagonists |
| FDA EPC | N0000175556 | beta-Adrenergic Blocker |
| MeSH PA | D000319 | Adrenergic beta-Antagonists |
| MeSH PA | D000889 | Anti-Arrhythmia Agents |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D013565 | Sympatholytics |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018674 | Adrenergic Antagonists |
| CHEBI has role | CHEBI:35530 | β-adrenergic antagonist |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:38070 | anti-arrhythmia drug |
| CHEBI has role | CHEBI:39456 | antiglaucoma drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Ocular hypertension | indication | 4210003 | DOID:9282 |
| Open-angle glaucoma | indication | 84494001 | DOID:1067 |
| Malignant glaucoma | off-label use | 10100008 | |
| Aphakic glaucoma | off-label use | 15374009 | |
| Secondary glaucoma | off-label use | 95717004 | |
| Angle-closure glaucoma | off-label use | 392291006 | DOID:13550 |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Complete atrioventricular block | contraindication | 27885002 | |
| Acute cerebrovascular insufficiency | contraindication | 29322000 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Anaphylaxis | contraindication | 39579001 | |
| Chronic heart failure | contraindication | 48447003 | |
| Sinus bradycardia | contraindication | 49710005 | |
| Chronic bronchitis | contraindication | 63480004 | DOID:6132 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Pulmonary emphysema | contraindication | 87433001 | |
| Cardiogenic shock | contraindication | 89138009 | |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Second degree atrioventricular block | contraindication | 195042002 | |
| Decompensated cardiac failure | contraindication | 195111005 | |
| Asthma | contraindication | 195967001 | DOID:2841 |
| Pregnancy, function | contraindication | 289908002 | |
| Severe chronic obstructive pulmonary disease | contraindication | 313299006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.19 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | ANTAGONIST | CHEMBL | CHEMBL | |||||
| Beta-2 adrenergic receptor | GPCR | ANTAGONIST | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4019573 | VUID |
| N0000147672 | NUI |
| D02374 | KEGG_DRUG |
| 36592-77-5 | SECONDARY_CAS_RN |
| 4019573 | VANDF |
| 4019834 | VANDF |
| C0041030 | UMLSCUI |
| CHEBI:6897 | CHEBI |
| CHEMBL1291 | ChEMBL_ID |
| CHEMBL1200947 | ChEMBL_ID |
| DB01214 | DRUGBANK_ID |
| D014290 | MESH_DESCRIPTOR_UI |
| 31477 | PUBCHEM_CID |
| 7239 | IUPHAR_LIGAND_ID |
| 4372 | INN_ID |
| X39AL81KEB | UNII |
| 10824 | RXNORM |
| 41688 | MMSL |
| 5098 | MMSL |
| 003544 | NDDF |
| 108831007 | SNOMEDCT_US |
| 126152000 | SNOMEDCT_US |
| 373446000 | SNOMEDCT_US |
| X39AL81KEB | INXIGHT DRUGS |
None