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| Stem definition | Drug id | CAS RN |
|---|---|---|
| beta-adrenoreceptor antagonists | 4752 | 93221-48-8 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,IKBKB,ITK,JAK3,MAP2K6,MAPK7,NTRK2,PDK2,PDK4,PRKDC,TEK,TGFBR1,ZAP70 | 26 | |||
| kinase-selectivity-class | CDK4,EIF2AK3 | 2 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.610 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | Moderate | 0.68 | |
| rat-kpuu-brain | Rat brain Kpuu | 0.476 | % | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Feb. 23, 2000 | FDA | ALCON PHARMS LTD |
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| 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 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.19 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | ANTAGONIST | Ki | 9.10 | IUPHAR | CHEMBL | |||
| Beta-2 adrenergic receptor | GPCR | ANTAGONIST | Ki | 7.49 | IUPHAR |
| ID | Source |
|---|---|
| D04710 | KEGG_DRUG |
| CHEBI:59254 | CHEBI |
| CHEMBL1201274 | ChEMBL_ID |
| CHEMBL1200837 | ChEMBL_ID |
| 8035 | IUPHAR_LIGAND_ID |
| 116209-55-3 | SECONDARY_CAS_RN |
| DB09351 | DRUGBANK_ID |
| 75O9XHA4TU | UNII |
| 261465 | RXNORM |
| 31822 | MMSL |
| 8731 | MMSL |
| 409277002 | SNOMEDCT_US |
| 409278007 | SNOMEDCT_US |
| C1171274 | UMLSCUI |
| 6447 | INN_ID |
| 60657 | PUBCHEM_CID |
| 75O9XHA4TU | INXIGHT DRUGS |
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