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| Stem definition | Drug id | CAS RN |
|---|---|---|
| prostaglandins | 343 | 88430-50-6 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 19 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.01 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.671 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 4.688 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 47.534 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 5.129 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 10.490 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 14.980 | % | High | 1 |
| herg | hERG pIC50 | 4.403 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.273 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.221 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 6.730 | % | High | 1 |
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,SYK,TEK,TGFBR1 | 23 | |||
| kinase-selectivity-class | GRK2,MAP2K6 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 7.980 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 26.242 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 13.170 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 13.062 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 13.980 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 19.679 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 82.120 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 6.830 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 859.014 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1992 | YEAR INTRODUCED |
| 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 |
|---|---|---|---|---|---|---|
| Pulmonary hypertension | 136.63 | 31.83 | 53 | 3220 | 42470 | 90582704 |
| Cardiac failure | 132.90 | 31.83 | 69 | 3204 | 109427 | 90515747 |
| Right ventricular failure | 131.31 | 31.83 | 42 | 3231 | 19163 | 90606011 |
| Concomitant disease aggravated | 107.54 | 31.83 | 32 | 3241 | 11486 | 90613688 |
| Hepatic function abnormal | 85.73 | 31.83 | 39 | 3234 | 46249 | 90578925 |
| Brain natriuretic peptide increased | 84.57 | 31.83 | 23 | 3250 | 5982 | 90619192 |
| Transfusion | 82.73 | 31.83 | 29 | 3244 | 17459 | 90607715 |
| Anaemia | 78.56 | 31.83 | 79 | 3194 | 352723 | 90272451 |
| Upper respiratory tract inflammation | 71.06 | 31.83 | 17 | 3256 | 2655 | 90622519 |
| Platelet count decreased | 68.61 | 31.83 | 49 | 3224 | 136920 | 90488254 |
| Gamma-glutamyltransferase increased | 57.95 | 31.83 | 28 | 3245 | 37924 | 90587250 |
| Blood pressure decreased | 57.48 | 31.83 | 35 | 3238 | 74860 | 90550314 |
| Iron deficiency anaemia | 56.98 | 31.83 | 24 | 3249 | 23638 | 90601536 |
| Pulmonary arterial hypertension | 54.64 | 31.83 | 24 | 3249 | 26163 | 90599011 |
| Interstitial lung disease | 54.30 | 31.83 | 34 | 3239 | 76371 | 90548803 |
| Aspartate aminotransferase increased | 40.73 | 31.83 | 32 | 3241 | 102905 | 90522269 |
| Haematocrit decreased | 38.50 | 31.83 | 22 | 3251 | 41810 | 90583364 |
| Renal impairment | 37.93 | 31.83 | 31 | 3242 | 105390 | 90519784 |
| Haemoglobin decreased | 37.25 | 31.83 | 37 | 3236 | 161919 | 90463255 |
| Pulmonary arterial pressure increased | 37.05 | 31.83 | 11 | 3262 | 3905 | 90621269 |
| Red blood cell count decreased | 36.41 | 31.83 | 22 | 3251 | 46329 | 90578845 |
| Alanine aminotransferase increased | 32.84 | 31.83 | 30 | 3243 | 118308 | 90506866 |
| 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 |
|---|---|---|---|---|---|---|
| Right ventricular failure | 99.15 | 31.77 | 28 | 1332 | 9527 | 42610448 |
| Concomitant disease aggravated | 76.06 | 31.77 | 21 | 1339 | 6565 | 42613410 |
| Brain natriuretic peptide increased | 61.94 | 31.77 | 18 | 1342 | 6752 | 42613223 |
| Cardiac failure | 59.92 | 31.77 | 39 | 1321 | 106817 | 42513158 |
| Pulmonary hypertension | 56.61 | 31.77 | 23 | 1337 | 23546 | 42596429 |
| Pulmonary arterial hypertension | 35.34 | 31.77 | 13 | 1347 | 10174 | 42609801 |
| 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 |
|---|---|---|---|---|---|---|
| Right ventricular failure | 219.19 | 27.75 | 70 | 4834 | 25884 | 110558511 |
| Pulmonary hypertension | 181.20 | 27.75 | 74 | 4830 | 55146 | 110529249 |
| Concomitant disease aggravated | 175.43 | 27.75 | 53 | 4851 | 16311 | 110568084 |
| Cardiac failure | 167.94 | 27.75 | 104 | 4800 | 187522 | 110396873 |
| Brain natriuretic peptide increased | 140.58 | 27.75 | 41 | 4863 | 11168 | 110573227 |
| Hepatic function abnormal | 96.59 | 27.75 | 56 | 4848 | 89239 | 110495156 |
| Anaemia | 84.38 | 27.75 | 112 | 4792 | 546974 | 110037421 |
| Transfusion | 83.00 | 27.75 | 34 | 4870 | 25438 | 110558957 |
| Upper respiratory tract inflammation | 82.34 | 27.75 | 22 | 4882 | 4349 | 110580046 |
| Pulmonary arterial hypertension | 81.34 | 27.75 | 36 | 4868 | 32532 | 110551863 |
| Platelet count decreased | 79.19 | 27.75 | 72 | 4832 | 230371 | 110354024 |
| Iron deficiency anaemia | 63.44 | 27.75 | 30 | 4874 | 31529 | 110552866 |
| Interstitial lung disease | 58.83 | 27.75 | 49 | 4855 | 139285 | 110445110 |
| Gamma-glutamyltransferase increased | 52.19 | 27.75 | 33 | 4871 | 61276 | 110523119 |
| Blood pressure decreased | 51.77 | 27.75 | 42 | 4862 | 115049 | 110469346 |
| Aspartate aminotransferase increased | 47.25 | 27.75 | 46 | 4858 | 159890 | 110424505 |
| Alanine aminotransferase increased | 40.18 | 27.75 | 45 | 4859 | 183728 | 110400667 |
| Haemoglobin decreased | 38.29 | 27.75 | 51 | 4853 | 248676 | 110335719 |
| Red blood cell count decreased | 36.01 | 27.75 | 27 | 4877 | 65896 | 110518499 |
| Pulmonary arterial pressure increased | 35.84 | 27.75 | 12 | 4892 | 5115 | 110579280 |
| Haematocrit decreased | 33.73 | 27.75 | 26 | 4878 | 66091 | 110518304 |
| Blood urea increased | 33.38 | 27.75 | 24 | 4880 | 54933 | 110529462 |
| Fatigue | 32.86 | 27.75 | 7 | 4897 | 1215951 | 109368444 |
| Renal impairment | 31.09 | 27.75 | 40 | 4864 | 188405 | 110395990 |
| Pleural effusion | 29.76 | 27.75 | 38 | 4866 | 177671 | 110406724 |
| Pulmonary congestion | 29.72 | 27.75 | 18 | 4886 | 30948 | 110553447 |
| Ascites | 27.96 | 27.75 | 27 | 4877 | 92781 | 110491614 |
None
| Source | Code | Description |
|---|---|---|
| ATC | B01AC19 | BLOOD AND BLOOD FORMING ORGANS ANTITHROMBOTIC AGENTS ANTITHROMBOTIC AGENTS Platelet aggregation inhibitors excl. heparin |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D006401 | Hematologic Agents |
| MeSH PA | D010975 | Platelet Aggregation Inhibitors |
| MeSH PA | D014665 | Vasodilator Agents |
| CHEBI has role | CHEBI:35620 | vasodilator agent |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:50427 | platelet aggregation inhibitor |
| CHEBI has role | CHEBI:66900 | prostaglandin receptor agonist |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:231911 | renoprotective agent |
| CHEBI has role | CHEBI:50249 | anticoagulant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pulmonary arterial hypertension | indication | 11399002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.76 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | GPCR | AGONIST | IC50 | 8.37 | WOMBAT-PK | DRUG LABEL | |||
| Prostaglandin E2 receptor EP3 subtype | GPCR | AGONIST | Ki | 6.17 | IUPHAR | ||||
| Prostaglandin E2 receptor EP4 subtype | GPCR | AGONIST | Ki | 5.14 | IUPHAR | ||||
| Prostacyclin receptor | GPCR | AGONIST | Ki | 7.80 | IUPHAR | ||||
| Prostacyclin receptor | GPCR | AGONIST | Ki | 7.72 | IUPHAR |
| ID | Source |
|---|---|
| D01551 | KEGG_DRUG |
| 88475-69-8 | SECONDARY_CAS_RN |
| C0053336 | UMLSCUI |
| CHEBI:135633 | CHEBI |
| CHEMBL1207745 | ChEMBL_ID |
| CHEMBL435883 | ChEMBL_ID |
| DB05229 | DRUGBANK_ID |
| C048081 | MESH_SUPPLEMENTAL_RECORD_UI |
| 6917951 | PUBCHEM_CID |
| 1967 | IUPHAR_LIGAND_ID |
| 6261 | INN_ID |
| 35E3NJJ4O6 | UNII |
| 010867 | NDDF |
| 010868 | NDDF |
| 35E3NJJ4O6 | INXIGHT DRUGS |
None