| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1831 | 25717-80-0 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 48 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.40 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 11 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 1 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.60 hours | Lombardo F, Berellini G, Obach RS |
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 |
|---|---|---|---|---|---|---|
| Toxic epidermal necrolysis | 162.61 | 51.40 | 49 | 1633 | 25285 | 63462055 |
| Antinuclear antibody negative | 86.48 | 51.40 | 13 | 1669 | 221 | 63487119 |
| Dermatitis exfoliative | 83.82 | 51.40 | 21 | 1661 | 5438 | 63481902 |
| Coombs positive haemolytic anaemia | 80.50 | 51.40 | 13 | 1669 | 358 | 63486982 |
| Antiphospholipid syndrome | 77.26 | 51.40 | 16 | 1666 | 1774 | 63485566 |
| Hyperthyroidism | 71.39 | 51.40 | 23 | 1659 | 14650 | 63472690 |
| Cholecystitis | 70.33 | 51.40 | 23 | 1659 | 15354 | 63471986 |
| Herpes simplex reactivation | 68.24 | 51.40 | 12 | 1670 | 556 | 63486784 |
| Respiratory disorder | 65.58 | 51.40 | 28 | 1654 | 39054 | 63448286 |
| Electrolyte imbalance | 64.32 | 51.40 | 23 | 1659 | 20053 | 63467287 |
| Gastritis haemorrhagic | 61.98 | 51.40 | 13 | 1669 | 1532 | 63485808 |
| Complex regional pain syndrome | 56.51 | 51.40 | 13 | 1669 | 2344 | 63484996 |
| Multiple organ dysfunction syndrome | 55.60 | 51.40 | 28 | 1654 | 56724 | 63430616 |
| Product prescribing error | 54.79 | 51.40 | 22 | 1660 | 26267 | 63461073 |
| 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 |
|---|---|---|---|---|---|---|
| General physical health deterioration | 68.68 | 37.38 | 49 | 1310 | 128220 | 34827352 |
| Pyelitis | 44.34 | 37.38 | 7 | 1352 | 111 | 34955461 |
| Dizziness | 39.02 | 37.38 | 45 | 1314 | 218476 | 34737096 |
| 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 |
|---|---|---|---|---|---|---|
| Toxic epidermal necrolysis | 121.83 | 34.13 | 48 | 2547 | 44533 | 79697260 |
| Product prescribing error | 87.61 | 34.13 | 38 | 2557 | 44775 | 79697018 |
| Electrolyte imbalance | 69.67 | 34.13 | 29 | 2566 | 30852 | 79710941 |
| Dermatitis exfoliative | 65.27 | 34.13 | 21 | 2574 | 10808 | 79730985 |
| General physical health deterioration | 61.67 | 34.13 | 59 | 2536 | 275179 | 79466614 |
| Hyperthyroidism | 57.40 | 34.13 | 23 | 2572 | 22186 | 79719607 |
| Respiratory disorder | 56.31 | 34.13 | 28 | 2567 | 44828 | 79696965 |
| Cholecystitis | 53.96 | 34.13 | 22 | 2573 | 22190 | 79719603 |
| Fall | 44.43 | 34.13 | 66 | 2529 | 487563 | 79254230 |
| Syncope | 39.21 | 34.13 | 38 | 2557 | 179411 | 79562382 |
| Mucosal erosion | 38.97 | 34.13 | 10 | 2585 | 2308 | 79739485 |
| Pyelitis | 38.11 | 34.13 | 7 | 2588 | 336 | 79741457 |
| Cholelithiasis | 35.95 | 34.13 | 22 | 2573 | 52642 | 79689151 |
| Dyspnoea | 34.90 | 34.13 | 82 | 2513 | 856943 | 78884850 |
| 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 |
|---|---|---|---|---|---|---|
| Small for dates baby | 17.17 | 17.12 | 7 | 4 | 2802 | 86979 |
| Source | Code | Description |
|---|---|---|
| ATC | C01DX12 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY VASODILATORS USED IN CARDIAC DISEASES Other vasodilators used in cardiac diseases |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D020030 | Nitric Oxide Donors |
| MeSH PA | D014665 | Vasodilator Agents |
| CHEBI has role | CHEBI:22586 | antioxidants |
| CHEBI has role | CHEBI:35620 | vasodilator agents |
| CHEBI has role | CHEBI:50566 | nitric oxide generators |
| CHEBI has role | CHEBI:68494 | apoptosis inhibitors |
| CHEBI has role | CHEBI:77307 | cardioprotective agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Angina pectoris | indication | 194828000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.48 | acidic |
| pKa2 | 6.72 | Basic |
| pKa3 | 1.29 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Estrogen receptor | Nuclear hormone receptor | IC50 | 4.61 | CHEMBL |
| ID | Source |
|---|---|
| N0000167103 | NUI |
| D01320 | KEGG_DRUG |
| C0026400 | UMLSCUI |
| CHEBI:31861 | CHEBI |
| CHEMBL1329455 | ChEMBL_ID |
| CHEMBL1256353 | ChEMBL_ID |
| DB09282 | DRUGBANK_ID |
| D008981 | MESH_DESCRIPTOR_UI |
| 5353788 | PUBCHEM_CID |
| 3125 | INN_ID |
| D46583G77X | UNII |
| 7023 | RXNORM |
| 005842 | NDDF |
| 698196008 | SNOMEDCT_US |
None