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| Stem definition | Drug id | CAS RN |
|---|---|---|
| diuretics, chlorothiazide derivatives | 2228 | 346-18-9 |
| Dose | Unit | Route |
|---|---|---|
| 1 | mg | O |
| 1 | mg | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.13 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 90 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,ZAP70 | 40 | |||
| kinase-selectivity-class | GRK2,PDK1,PDK2 | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 26, 1961 | FDA | PFIZER |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C03AA05 | CARDIOVASCULAR SYSTEM DIURETICS LOW-CEILING DIURETICS, THIAZIDES Thiazides, plain |
| ATC | C03AB05 | CARDIOVASCULAR SYSTEM DIURETICS LOW-CEILING DIURETICS, THIAZIDES Thiazides and potassium in combination |
| FDA CS | M0471776 | Thiazides |
| FDA PE | N0000175359 | Increased Diuresis |
| FDA EPC | N0000175419 | Thiazide Diuretic |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D004232 | Diuretics |
| MeSH PA | D045283 | Natriuretic Agents |
| MeSH PA | D049990 | Membrane Transport Modulators |
| MeSH PA | D049993 | Sodium Chloride Symporter Inhibitors |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
| Benign prostatic hyperplasia | off-label use | 266569009 | |
| Chronic Post Traumatic Stress Disorder with Trauma-related Nightmares | off-label use | ||
| 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 | |
| End stage renal disease | contraindication | 46177005 | DOID:784 |
| Chronic heart failure | contraindication | 48447003 | |
| Narcolepsy | contraindication | 60380001 | DOID:8986 |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Cataract surgery | contraindication | 110473004 | |
| Micturition syncope | contraindication | 234168001 | |
| Calculus in biliary tract | contraindication | 266474003 | |
| Syncope | contraindication | 271594007 | |
| Intraoperative floppy iris syndrome | contraindication | 418801006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.6 | acidic |
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 | A2 | 9.09 | WOMBAT-PK | CHEMBL |
| ID | Source |
|---|---|
| D00657 | KEGG_DRUG |
| 4018627 | VANDF |
| C0032613 | UMLSCUI |
| CHEBI:8327 | CHEBI |
| XZF | PDB_CHEM_ID |
| CHEMBL1587 | ChEMBL_ID |
| D011139 | MESH_DESCRIPTOR_UI |
| DB01324 | DRUGBANK_ID |
| 7274 | IUPHAR_LIGAND_ID |
| 1187 | INN_ID |
| 36780APV5N | UNII |
| 224931 | RXNORM |
| 5319 | MMSL |
| 977 | MMSL |
| d00647 | MMSL |
| 002302 | NDDF |
| 387492006 | SNOMEDCT_US |
| 85468002 | SNOMEDCT_US |
| 4870 | PUBCHEM_CID |
| 36780APV5N | INXIGHT DRUGS |
None