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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antiulcer, benzimidazole derivatives | 3961 | 172152-36-2 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.19 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.73 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 3.59 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IGF1R,ITK,JAK2,JAK3,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 59 | |||
| kinase-selectivity-class | AXL | 1 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Oct. 28, 2008 | Korean Food and Drug Administration (KFDA) |
None
| 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 |
|---|---|---|---|---|---|---|
| Occupational dermatitis | 81.73 | 70.04 | 9 | 147 | 97 | 42621082 |
| 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 |
|---|---|---|---|---|---|---|
| Occupational dermatitis | 81.32 | 59.21 | 9 | 263 | 154 | 110588873 |
| Occupational exposure to air contaminants | 70.90 | 59.21 | 8 | 264 | 164 | 110588863 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A02BC11 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR ACID RELATED DISORDERS DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD) Proton pump inhibitors |
| CHEBI has role | CHEBI:49201 | anti-ulcer drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Peptic ulcer | indication | 13200003 | DOID:750 |
| Gastroesophageal reflux disease | indication | 235595009 | DOID:8534 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.28 | acidic |
| pKa2 | 4.05 | Basic |
| pKa3 | 3.35 | Basic |
None
None
| 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 |
| ID | Source |
|---|---|
| C1881129 | UMLSCUI |
| CHEBI:135544 | CHEBI |
| CHEMBL2106370 | ChEMBL_ID |
| DB11964 | DRUGBANK_ID |
| C119615 | MESH_SUPPLEMENTAL_RECORD_UI |
| 214351 | PUBCHEM_CID |
| 10512 | IUPHAR_LIGAND_ID |
| 8158 | INN_ID |
| 776Q6XX45J | UNII |
| 776Q6XX45J | INXIGHT DRUGS |
None