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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2343 | 73-49-4 |
| Dose | Unit | Route |
|---|---|---|
| 50 | mg | O |
| 50 | mg | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | AAK1,ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BMX,BRAF,BTK,CAMK2B,CAMK2D,CAMK2G,CDK1,CDK14,CDK16,CDK2,CDK4,CDK5,CDK6,CDK7,CDK9,CHEK1,CHEK2,CLK2,CLK4,CSF1R,DDR1,DYRK1B,DYRK2,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GAK,GRK1,GRK2,GRK3,GSK3A,GSK3B,IKBKB,INSR,IRAK1,ITK,JAK1,JAK2,JAK3,KDR,KIT,LRRK2,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K2,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK1,NTRK2,NUAK1,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SGK1,SIK2,SIK3,SRC,STK17A,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ULK2,ZAP70 | 107 | |||
| kinase-selectivity-class | AURKA,AXL,CAMK2D,CDK9,DYRK1B,EIF2AK3,GRK2,GRK3,MAP2K6,MAP3K7,MAPK1,PDK1,SIK2,SIK3,STK33,TEK,ULK1 | 17 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 10, 1963 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C03BA02 | CARDIOVASCULAR SYSTEM DIURETICS LOW-CEILING DIURETICS, EXCL. THIAZIDES Sulfonamides, plain |
| ATC | C03BB02 | CARDIOVASCULAR SYSTEM DIURETICS LOW-CEILING DIURETICS, EXCL. THIAZIDES Sulfonamides and potassium in combination |
| MeSH PA | D004232 | Diuretics |
| MeSH PA | D049990 | Membrane Transport Modulators |
| MeSH PA | D049993 | Sodium Chloride Symporter Inhibitors |
| CHEBI has role | CHEBI:35498 | diuretic |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Suicidal thoughts | contraindication | 6471006 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Chronic disease of respiratory system | contraindication | 17097001 | |
| Electroconvulsive therapy | contraindication | 23835007 | |
| Depressive disorder | contraindication | 35489007 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Chronic heart failure | contraindication | 48447003 | |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Calculus in biliary tract | contraindication | 266474003 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.17 | acidic |
| pKa2 | 10.75 | acidic |
| pKa3 | 2.84 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Solute carrier family 12 member 3 | Transporter | INHIBITOR | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4017901 | VUID |
| N0000146252 | NUI |
| D00461 | KEGG_DRUG |
| 4017901 | VANDF |
| C0164608 | UMLSCUI |
| CHEMBL1532 | ChEMBL_ID |
| DB01325 | DRUGBANK_ID |
| C050700 | MESH_SUPPLEMENTAL_RECORD_UI |
| 6307 | PUBCHEM_CID |
| 7289 | IUPHAR_LIGAND_ID |
| C408964 | MESH_SUPPLEMENTAL_RECORD_UI |
| 998 | INN_ID |
| 455E0S048W | UNII |
| 59743 | RXNORM |
| 002308 | NDDF |
| 400606007 | SNOMEDCT_US |
| 41261002 | SNOMEDCT_US |
| 455E0S048W | INXIGHT DRUGS |
None