| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3881 | 642-72-8 |
| Dose | Unit | Route |
|---|---|---|
| 0.15 | g | O |
| 0.15 | g | R |
| 9 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 87 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.53 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 2.28 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.80 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 8.10 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 |
|---|---|---|---|---|---|---|
| Macular degeneration | 156.45 | 38.16 | 63 | 5168 | 24313 | 63459478 |
| Mouth ulceration | 144.44 | 38.16 | 65 | 5166 | 32919 | 63450872 |
| Skin candida | 137.45 | 38.16 | 31 | 5200 | 1624 | 63482167 |
| Neutropenic sepsis | 135.64 | 38.16 | 51 | 5180 | 16387 | 63467404 |
| Mucosal inflammation | 111.45 | 38.16 | 61 | 5170 | 46867 | 63436924 |
| Vaginal flatulence | 106.83 | 38.16 | 29 | 5202 | 3264 | 63480527 |
| Hypomagnesaemia | 102.04 | 38.16 | 49 | 5182 | 28688 | 63455103 |
| Chronic sinusitis | 99.27 | 38.16 | 38 | 5193 | 12805 | 63470986 |
| Proctitis | 92.45 | 38.16 | 29 | 5202 | 5412 | 63478379 |
| Constipation | 89.44 | 38.16 | 101 | 5130 | 224842 | 63258949 |
| Paraesthesia oral | 87.60 | 38.16 | 39 | 5192 | 19217 | 63464574 |
| Rectal haemorrhage | 85.12 | 38.16 | 52 | 5179 | 48978 | 63434813 |
| Diarrhoea | 84.77 | 38.16 | 183 | 5048 | 715183 | 62768608 |
| Female genital tract fistula | 83.08 | 38.16 | 29 | 5202 | 7530 | 63476261 |
| Procedural pain | 80.28 | 38.16 | 38 | 5193 | 21531 | 63462260 |
| Radiculopathy | 79.39 | 38.16 | 29 | 5202 | 8582 | 63475209 |
| Vaginal discharge | 77.53 | 38.16 | 29 | 5202 | 9169 | 63474622 |
| Nausea | 72.48 | 38.16 | 192 | 5039 | 854279 | 62629512 |
| Frequent bowel movements | 69.03 | 38.16 | 35 | 5196 | 22987 | 63460804 |
| Anaemia | 68.15 | 38.16 | 101 | 5130 | 293329 | 63190462 |
| Ejection fraction decreased | 67.10 | 38.16 | 34 | 5197 | 22298 | 63461493 |
| Excessive eye blinking | 64.48 | 38.16 | 16 | 5215 | 1264 | 63482527 |
| Oral candidiasis | 63.55 | 38.16 | 33 | 5198 | 22765 | 63461026 |
| Nervous system disorder | 57.63 | 38.16 | 29 | 5202 | 18737 | 63465054 |
| Rhinovirus infection | 52.17 | 38.16 | 18 | 5213 | 4511 | 63479280 |
| Intestinal dilatation | 50.45 | 38.16 | 14 | 5217 | 1708 | 63482083 |
| Weight decreased | 50.01 | 38.16 | 85 | 5146 | 276713 | 63207078 |
| Colitis ulcerative | 48.68 | 38.16 | 29 | 5202 | 26062 | 63457729 |
| Dyspepsia | 45.88 | 38.16 | 49 | 5182 | 102147 | 63381644 |
| Hypokalaemia | 45.24 | 38.16 | 49 | 5182 | 103755 | 63380036 |
| Lymphoedema | 41.66 | 38.16 | 20 | 5211 | 11672 | 63472119 |
| Vomiting | 39.49 | 38.16 | 118 | 5113 | 559499 | 62924292 |
| 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 |
|---|---|---|---|---|---|---|
| Neutropenic sepsis | 68.16 | 40.02 | 22 | 932 | 13745 | 34942232 |
| 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 |
|---|---|---|---|---|---|---|
| Neutropenic sepsis | 178.43 | 35.62 | 70 | 6073 | 26994 | 79711251 |
| Mouth ulceration | 164.40 | 35.62 | 73 | 6070 | 38321 | 79699924 |
| Skin candida | 127.10 | 35.62 | 30 | 6113 | 2057 | 79736188 |
| Vaginal flatulence | 110.86 | 35.62 | 28 | 6115 | 2547 | 79735698 |
| Mucosal inflammation | 102.81 | 35.62 | 67 | 6076 | 75513 | 79662732 |
| Macular degeneration | 102.73 | 35.62 | 37 | 6106 | 11259 | 79726986 |
| Chronic sinusitis | 97.59 | 35.62 | 37 | 6106 | 12989 | 79725256 |
| Constipation | 88.84 | 35.62 | 109 | 6034 | 282941 | 79455304 |
| Female genital tract fistula | 87.55 | 35.62 | 28 | 6115 | 5947 | 79732298 |
| Proctitis | 85.52 | 35.62 | 28 | 6115 | 6404 | 79731841 |
| Paraesthesia oral | 84.61 | 35.62 | 38 | 6105 | 20433 | 79717812 |
| Diarrhoea | 83.35 | 35.62 | 198 | 5945 | 880291 | 78857954 |
| Hypomagnesaemia | 82.53 | 35.62 | 49 | 6094 | 46862 | 79691383 |
| Vaginal discharge | 81.44 | 35.62 | 28 | 6115 | 7435 | 79730810 |
| Procedural pain | 77.19 | 35.62 | 37 | 6106 | 23047 | 79715198 |
| Radiculopathy | 76.85 | 35.62 | 28 | 6115 | 8796 | 79729449 |
| Nausea | 70.59 | 35.62 | 196 | 5947 | 957000 | 78781245 |
| Rectal haemorrhage | 67.42 | 35.62 | 52 | 6091 | 76248 | 79661997 |
| Frequent bowel movements | 60.30 | 35.62 | 34 | 6109 | 29505 | 79708740 |
| Oral candidiasis | 60.20 | 35.62 | 34 | 6109 | 29594 | 79708651 |
| Dyspepsia | 58.98 | 35.62 | 56 | 6087 | 108631 | 79629614 |
| Excessive eye blinking | 56.25 | 35.62 | 15 | 6128 | 1686 | 79736559 |
| Ejection fraction decreased | 55.33 | 35.62 | 34 | 6109 | 34543 | 79703702 |
| Nervous system disorder | 47.07 | 35.62 | 28 | 6115 | 26828 | 79711417 |
| Anaemia | 46.10 | 35.62 | 104 | 6039 | 444911 | 79293334 |
| Hypokalaemia | 45.91 | 35.62 | 56 | 6087 | 143984 | 79594261 |
| Intestinal dilatation | 45.15 | 35.62 | 14 | 6129 | 2686 | 79735559 |
| Lymphoedema | 44.86 | 35.62 | 21 | 6122 | 12392 | 79725853 |
| Neuropathy peripheral | 43.52 | 35.62 | 54 | 6089 | 141251 | 79596994 |
| Bleeding time prolonged | 40.96 | 35.62 | 11 | 6132 | 1270 | 79736975 |
| Colitis ulcerative | 40.47 | 35.62 | 28 | 6115 | 34714 | 79703531 |
| Rhinovirus infection | 40.13 | 35.62 | 17 | 6126 | 7936 | 79730309 |
| Lower respiratory tract infection | 39.18 | 35.62 | 49 | 6094 | 129171 | 79609074 |
| Vascular device infection | 39.05 | 35.62 | 18 | 6125 | 10258 | 79727987 |
| Weight decreased | 38.98 | 35.62 | 85 | 6058 | 355113 | 79383132 |
| Vomiting | 38.09 | 35.62 | 125 | 6018 | 665703 | 79072542 |
| Pyrexia | 35.79 | 35.62 | 124 | 6019 | 678585 | 79059660 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A01AD02 | ALIMENTARY TRACT AND METABOLISM STOMATOLOGICAL PREPARATIONS STOMATOLOGICAL PREPARATIONS Other agents for local oral treatment |
| ATC | G02CC03 | GENITO URINARY SYSTEM AND SEX HORMONES OTHER GYNECOLOGICALS OTHER GYNECOLOGICALS Antiinflammatory products for vaginal administration |
| ATC | M01AX07 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Other antiinflammatory and antirheumatic agents, non-steroids |
| ATC | M02AA05 | MUSCULO-SKELETAL SYSTEM TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN Antiinflammatory preparations, non-steroids for topical use |
| ATC | R02AX03 | RESPIRATORY SYSTEM THROAT PREPARATIONS THROAT PREPARATIONS Other throat preparations |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| CHEBI has role | CHEBI:35337 | analeptic |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory agent |
| CHEBI has role | CHEBI:35499 | hallucinogens |
| CHEBI has role | CHEBI:36333 | local anesthetics |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pain | indication | 22253000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.78 | Basic |
| pKa2 | 1.65 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Soluble guanylate cyclase | Enzyme | EC50 | 5.99 | CHEMBL |
| ID | Source |
|---|---|
| D01410 | KEGG_DRUG |
| 132-69-4 | SECONDARY_CAS_RN |
| C0005099 | UMLSCUI |
| CHEBI:94563 | CHEBI |
| CHEMBL12610 | ChEMBL_ID |
| CHEMBL1528134 | ChEMBL_ID |
| D001591 | MESH_DESCRIPTOR_UI |
| DB09084 | DRUGBANK_ID |
| 1927 | INN_ID |
| 4O21U048EF | UNII |
| 12555 | PUBCHEM_CID |
| 1425 | RXNORM |
| 003474 | NDDF |
| 004658 | NDDF |
| 331143003 | SNOMEDCT_US |
| 350307000 | SNOMEDCT_US |
| 421319000 | SNOMEDCT_US |
None