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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 477 | 2181-04-6 |
| Dose | Unit | Route |
|---|---|---|
| 0.40 | g | P |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,CDK5,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,PDK1,PDK2,PDK4,PRKDC | 11 | |||
| kinase-selectivity-class | EIF2AK3,GRK2,MAP2K6,MAP3K14,TGFBR1 | 5 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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 |
|---|---|---|---|---|---|---|
| Sopor | 153.56 | 27.85 | 50 | 3166 | 24594 | 90600637 |
| Hyperkalaemia | 144.96 | 27.85 | 62 | 3154 | 64902 | 90560329 |
| Drug interaction | 127.07 | 27.85 | 93 | 3123 | 276360 | 90348871 |
| Lactic acidosis | 102.17 | 27.85 | 45 | 3171 | 50418 | 90574813 |
| Acute kidney injury | 100.26 | 27.85 | 86 | 3130 | 320301 | 90304930 |
| Hyponatraemia | 94.99 | 27.85 | 59 | 3157 | 133479 | 90491752 |
| Melaena | 76.82 | 27.85 | 33 | 3183 | 34764 | 90590467 |
| Syncope | 73.17 | 27.85 | 50 | 3166 | 132613 | 90492618 |
| Toxic epidermal necrolysis | 72.30 | 27.85 | 31 | 3185 | 32497 | 90592734 |
| Bradycardia | 69.75 | 27.85 | 41 | 3175 | 83806 | 90541425 |
| International normalised ratio increased | 67.12 | 27.85 | 33 | 3183 | 47283 | 90577948 |
| Metabolic acidosis | 48.32 | 27.85 | 28 | 3188 | 55648 | 90569583 |
| Dehydration | 46.51 | 27.85 | 45 | 3171 | 194402 | 90430829 |
| Anaemia | 43.77 | 27.85 | 58 | 3158 | 352744 | 90272487 |
| Hyponatraemic syndrome | 39.82 | 27.85 | 8 | 3208 | 566 | 90624665 |
| Hyponatraemic encephalopathy | 38.30 | 27.85 | 7 | 3209 | 299 | 90624932 |
| Necrotising colitis | 38.26 | 27.85 | 9 | 3207 | 1329 | 90623902 |
| Oliguria | 37.01 | 27.85 | 14 | 3202 | 10610 | 90614621 |
| Polyglandular disorder | 33.51 | 27.85 | 6 | 3210 | 228 | 90625003 |
| Hypoglycaemia | 33.04 | 27.85 | 24 | 3192 | 69824 | 90555407 |
| Electrocardiogram QT prolonged | 32.25 | 27.85 | 24 | 3192 | 72432 | 90552799 |
| Drug ineffective | 30.80 | 27.85 | 6 | 3210 | 1384292 | 89240939 |
| Asthenia | 30.75 | 27.85 | 62 | 3154 | 533689 | 90091542 |
| Vascular parkinsonism | 30.07 | 27.85 | 5 | 3211 | 122 | 90625109 |
| Hypokalaemia | 28.81 | 27.85 | 29 | 3187 | 131087 | 90494144 |
| Anaemia folate deficiency | 28.44 | 27.85 | 6 | 3210 | 540 | 90624691 |
| 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 |
|---|---|---|---|---|---|---|
| Hyperkalaemia | 178.93 | 30.66 | 90 | 2486 | 80368 | 42538391 |
| Sopor | 94.59 | 30.66 | 34 | 2542 | 13168 | 42605591 |
| Hypotension | 86.35 | 30.66 | 91 | 2485 | 257540 | 42361219 |
| Melaena | 84.81 | 30.66 | 43 | 2533 | 38703 | 42580056 |
| Anaemia | 83.45 | 30.66 | 93 | 2483 | 280185 | 42338574 |
| Drug interaction | 80.15 | 30.66 | 89 | 2487 | 266910 | 42351849 |
| Metabolic acidosis | 65.26 | 30.66 | 40 | 2536 | 51818 | 42566941 |
| Toxic epidermal necrolysis | 62.35 | 30.66 | 31 | 2545 | 26719 | 42592040 |
| Asthenia | 57.13 | 30.66 | 77 | 2499 | 280716 | 42338043 |
| Presyncope | 52.32 | 30.66 | 26 | 2550 | 22361 | 42596398 |
| Renal ischaemia | 40.73 | 30.66 | 11 | 2565 | 1659 | 42617100 |
| Acute kidney injury | 39.05 | 30.66 | 75 | 2501 | 367262 | 42251497 |
| Hyponatraemia | 35.82 | 30.66 | 37 | 2539 | 101425 | 42517334 |
| Oliguria | 31.59 | 30.66 | 14 | 2562 | 9299 | 42609460 |
| 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 |
|---|---|---|---|---|---|---|
| Hyperkalaemia | 314.64 | 25.42 | 151 | 5829 | 135645 | 110447674 |
| Sopor | 226.01 | 25.42 | 82 | 5898 | 36464 | 110546855 |
| Drug interaction | 188.28 | 25.42 | 179 | 5801 | 500004 | 110083315 |
| Melaena | 157.49 | 25.42 | 76 | 5904 | 68681 | 110514638 |
| Toxic epidermal necrolysis | 127.75 | 25.42 | 62 | 5918 | 56665 | 110526654 |
| Acute kidney injury | 123.38 | 25.42 | 161 | 5819 | 635269 | 109948050 |
| Anaemia | 117.80 | 25.42 | 146 | 5834 | 546940 | 110036379 |
| Metabolic acidosis | 110.06 | 25.42 | 68 | 5912 | 99676 | 110483643 |
| Hyponatraemia | 107.43 | 25.42 | 91 | 5889 | 217562 | 110365757 |
| Lactic acidosis | 104.24 | 25.42 | 64 | 5916 | 92747 | 110490572 |
| Syncope | 88.44 | 25.42 | 79 | 5901 | 202457 | 110380862 |
| Hypotension | 80.82 | 25.42 | 119 | 5861 | 523730 | 110059589 |
| Asthenia | 80.82 | 25.42 | 138 | 5842 | 688861 | 109894458 |
| Bradycardia | 78.67 | 25.42 | 66 | 5914 | 155451 | 110427868 |
| International normalised ratio increased | 73.17 | 25.42 | 50 | 5930 | 86722 | 110496597 |
| Oliguria | 62.82 | 25.42 | 27 | 5953 | 18630 | 110564689 |
| Presyncope | 58.15 | 25.42 | 35 | 5945 | 48852 | 110534467 |
| Dehydration | 51.13 | 25.42 | 69 | 5911 | 279442 | 110303877 |
| Haematuria | 43.52 | 25.42 | 36 | 5944 | 82969 | 110500350 |
| Electrocardiogram QT prolonged | 40.69 | 25.42 | 39 | 5941 | 108921 | 110474398 |
| Renal ischaemia | 38.33 | 25.42 | 11 | 5969 | 2312 | 110581007 |
| Hypokalaemia | 36.35 | 25.42 | 47 | 5933 | 182401 | 110400918 |
| Hypoglycaemia | 34.99 | 25.42 | 37 | 5943 | 116067 | 110467252 |
| Hyponatraemic syndrome | 33.84 | 25.42 | 8 | 5972 | 789 | 110582530 |
| Hyponatraemic encephalopathy | 33.52 | 25.42 | 7 | 5973 | 391 | 110582928 |
| Necrotising colitis | 32.02 | 25.42 | 9 | 5971 | 1756 | 110581563 |
| Polyglandular disorder | 30.69 | 25.42 | 6 | 5974 | 240 | 110583079 |
| Ascites | 30.52 | 25.42 | 31 | 5949 | 92777 | 110490542 |
| Loss of consciousness | 29.27 | 25.42 | 44 | 5936 | 196262 | 110387057 |
| Vascular parkinsonism | 28.08 | 25.42 | 5 | 5975 | 119 | 110583200 |
| Renal failure | 27.20 | 25.42 | 46 | 5934 | 226528 | 110356791 |
| Shock haemorrhagic | 26.07 | 25.42 | 17 | 5963 | 27230 | 110556089 |
| Rectal haemorrhage | 25.64 | 25.42 | 32 | 5948 | 119801 | 110463518 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C03DA02 | CARDIOVASCULAR SYSTEM DIURETICS ALDOSTERONE ANTAGONISTS AND OTHER POTASSIUM-SPARING AGENTS Aldosterone antagonists |
| MeSH PA | D000451 | Mineralocorticoid Receptor Antagonists |
| MeSH PA | D004232 | Diuretics |
| MeSH PA | D006727 | Hormone Antagonists |
| MeSH PA | D045283 | Natriuretic Agents |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:50113 | androgen |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.78 | acidic |
None
None
None
| ID | Source |
|---|---|
| D01943 | KEGG_DRUG |
| 1981 | RXNORM |
| CHEBI:749783 | CHEBI |
| CHEMBL1371200 | ChEMBL_ID |
| CHEMBL1616951 | ChEMBL_ID |
| 4138-96-9 | SECONDARY_CAS_RN |
| DB09015 | DRUGBANK_ID |
| 318053000 | SNOMEDCT_US |
| 419615001 | SNOMEDCT_US |
| C0006881 | UMLSCUI |
| D002191 | MESH_DESCRIPTOR_UI |
| 23671691 | PUBCHEM_CID |
| 2448 | INN_ID |
| 2571 | INN_ID |
| M671F9NLEA | UNII |
| 003944 | NDDF |
| 003945 | NDDF |
| M671F9NLEA | INXIGHT DRUGS |
None