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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antihypertensives, hydrazinephthalazine derivatives | 461 | 64241-34-5 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Dose | Unit | Route |
|---|---|---|
| 15 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 1.30 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 75 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.01 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 93 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP3K21,MAPK7,NTRK2,PDK1,PDK2,PIK3CB,PRKDC,SIK2,STK33,SYK,TEK | 27 | |||
| kinase-selectivity-class | GRK2,TEK | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1988 | YEAR INTRODUCED |
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None
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| Source | Code | Description |
|---|---|---|
| ATC | C02DB04 | CARDIOVASCULAR SYSTEM ANTIHYPERTENSIVES ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON Hydrazinophthalazine derivatives |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D014665 | Vasodilator Agents |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
None
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.34 | acidic |
| pKa2 | 5.99 | Basic |
| pKa3 | 3.88 | Basic |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C | Ion channel | WOMBAT-PK | |||||||
| Myeloperoxidase | Enzyme | IC50 | 5.30 | WOMBAT-PK |
| ID | Source |
|---|---|
| D01804 | KEGG_DRUG |
| C0054422 | UMLSCUI |
| CHEBI:31331 | CHEBI |
| CHEMBL2106561 | ChEMBL_ID |
| DB13452 | DRUGBANK_ID |
| C031877 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2515 | PUBCHEM_CID |
| 4670 | INN_ID |
| 8T96I3U713 | UNII |
| 010894 | NDDF |
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