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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antiulcer, benzimidazole derivatives | 4867 | 177795-60-7 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IGF1R,ITK,JAK2,JAK3,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 57 | |||
| kinase-selectivity-class | AXL,BRAF | 2 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 3.936 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | High | 1 | |
| rat-kpuu-brain | Rat brain Kpuu | 0.139 | % | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | A02BC07 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR ACID RELATED DISORDERS DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD) Proton pump inhibitors |
| MeSH PA | D000897 | Anti-Ulcer Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D005765 | Gastrointestinal Agents |
| MeSH PA | D054328 | Proton Pump Inhibitors |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:63457 | fibroblast growth factor receptor antagonist |
| CHEBI has role | CHEBI:65207 | vascular endothelial growth factor receptor antagonist |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Peptic ulcer | indication | 13200003 | DOID:750 |
| Erosive esophagitis | indication | 40719004 | |
| Duodenal ulcer disease | indication | 51868009 | DOID:1724 |
| Zollinger-Ellison syndrome | indication | 53132006 | DOID:0050782 |
| Peptic reflux disease | indication | 57643001 | |
| Gastroesophageal reflux disease | indication | 235595009 | DOID:8534 |
| Gastric ulcer | indication | 397825006 | DOID:10808 |
| Gastric Hypersecretory Conditions | indication | ||
| Maintenance of Healing Erosive Esophagitis | indication | ||
| Duodenal Ulcer due to H. Pylori | indication | ||
| Pathological Gastric Hypersecretory Condition | indication | ||
| Upper gastrointestinal hemorrhage | off-label use | 37372002 | |
| Chronic heart failure | contraindication | 48447003 | |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Osteoporosis | contraindication | 64859006 | DOID:11476 |
| Oliguria | contraindication | 83128009 | |
| Atrophic gastritis | contraindication | 84568007 | DOID:8929 |
| Fracture of bone | contraindication | 125605004 | |
| Hypomagnesemia | contraindication | 190855004 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Edema | contraindication | 267038008 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.23 | acidic |
| pKa2 | 3.9 | Basic |
| pKa3 | 2.72 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | Transporter | INHIBITOR | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||||
| D(3) dopamine receptor | GPCR | Ki | 6.10 | CHEMBL | |||||
| Adenosine receptor A3 | GPCR | Ki | 5.74 | CHEMBL | |||||
| ATP-binding cassette sub-family G member 2 | Transporter | IC50 | 5.07 | CHEMBL | |||||
| Platelet-derived growth factor receptor beta | Kinase | Kd | 6.56 | CHEMBL | |||||
| Pyridoxal kinase | Kinase | Kd | 4.79 | CHEMBL | |||||
| Proto-oncogene tyrosine-protein kinase receptor Ret | Kinase | Kd | 8.30 | CHEMBL | |||||
| Vascular endothelial growth factor receptor 1 | Kinase | IC50 | 8.15 | CHEMBL | |||||
| Vascular endothelial growth factor receptor 2 | Kinase | IC50 | 7.60 | CHEMBL | |||||
| Vascular endothelial growth factor receptor 3 | Kinase | IC50 | 8 | CHEMBL | |||||
| Fibroblast growth factor receptor 3 | Kinase | IC50 | 6.62 | CHEMBL | |||||
| Tyrosine-protein kinase Lyn | Kinase | Kd | 5.56 | CHEMBL | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.10 | CHEMBL | |||||
| Fatty acid synthase | Enzyme | Ki | 5.23 | CHEMBL | |||||
| Fibroblast growth factor receptor 2 | Kinase | IC50 | 7.08 | CHEMBL | |||||
| Receptor-interacting serine/threonine-protein kinase 2 | Kinase | Kd | 6.70 | CHEMBL | |||||
| Epithelial discoidin domain-containing receptor 1 | Kinase | Kd | 7.85 | CHEMBL | |||||
| Discoidin domain-containing receptor 2 | Kinase | Kd | 7.03 | CHEMBL | |||||
| Aurora kinase B | Kinase | Kd | 4.64 | CHEMBL | |||||
| Insulin-degrading enzyme | Enzyme | IC50 | 4.96 | CHEMBL | |||||
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Enzyme | IC50 | 4.28 | CHEMBL | |||||
| Cytosolic endo-beta-N-acetylglucosaminidase | Enzyme | IC50 | 5.35 | CHEMBL | |||||
| Sterile alpha and TIR motif-containing protein 1 | Enzyme | IC50 | 5.50 | CHEMBL | |||||
| Fibroblast growth factor receptor 1 | Kinase | IC50 | 7.76 | CHEMBL |
| ID | Source |
|---|---|
| 65JK8810RM | UNII |
| 171440-18-9 | SECONDARY_CAS_RN |
| C3661450 | UMLSCUI |
| CHEMBL1615209 | ChEMBL_ID |
| 9906855 | PUBCHEM_CID |
| DB13762 | DRUGBANK_ID |
| CHEMBL2220486 | ChEMBL_ID |
| CHEMBL1219 | ChEMBL_ID |
| CHEMBL1200930 | ChEMBL_ID |
| D064750 | MESH_DESCRIPTOR_UI |
| C000595232 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1177188006 | SNOMEDCT_US |
| 1179585005 | SNOMEDCT_US |
| CHEBI:134729 | CHEBI |
| RZX | PDB_CHEM_ID |
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