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| Stem definition | Drug id | CAS RN |
|---|---|---|
| sulpiride derivatives and analogues | 2537 | 15676-16-1 |
| Dose | Unit | Route |
|---|---|---|
| 0.80 | g | O |
| 0.80 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 2.28 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 70 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 133.89 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 27 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.94 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.90 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) | 6.50 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP3K7,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,SIK2,SIK3,TEK | 24 | |||
| kinase-selectivity-class | EIF2AK3,GRK2,PDK1,SIK2,TEK | 5 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.476 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| rat-kpuu-brain | Rat brain Kpuu | 0.012 | % | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1972 | 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 |
|---|---|---|---|---|---|---|
| Electrocardiogram QT prolonged | 145.01 | 24.33 | 71 | 4419 | 72385 | 90551572 |
| Suicide attempt | 116.29 | 24.33 | 62 | 4428 | 75337 | 90548620 |
| Torsade de pointes | 115.90 | 24.33 | 39 | 4451 | 15143 | 90608814 |
| Parkinsonism | 87.45 | 24.33 | 31 | 4459 | 14034 | 90609923 |
| Drug interaction | 71.85 | 24.33 | 78 | 4412 | 276375 | 90347582 |
| Hypokalaemia | 71.41 | 24.33 | 56 | 4434 | 131060 | 90492897 |
| Toxicity to various agents | 67.55 | 24.33 | 77 | 4413 | 287769 | 90336188 |
| Ventricular fibrillation | 65.30 | 24.33 | 25 | 4465 | 14019 | 90609938 |
| Cerebellar syndrome | 63.97 | 24.33 | 18 | 4472 | 3854 | 90620103 |
| Somnolence | 59.60 | 24.33 | 62 | 4428 | 209022 | 90414935 |
| Serotonin syndrome | 57.91 | 24.33 | 31 | 4459 | 37856 | 90586101 |
| Fall | 57.89 | 24.33 | 93 | 4397 | 481717 | 90142240 |
| Hypomagnesaemia | 56.88 | 24.33 | 30 | 4460 | 35558 | 90588399 |
| Altered state of consciousness | 54.45 | 24.33 | 28 | 4462 | 31504 | 90592453 |
| Rhabdomyolysis | 49.19 | 24.33 | 31 | 4459 | 51225 | 90572732 |
| Drug abuse | 48.78 | 24.33 | 37 | 4453 | 82310 | 90541647 |
| Extrapyramidal disorder | 48.27 | 24.33 | 21 | 4469 | 16282 | 90607675 |
| Fracture | 48.20 | 24.33 | 23 | 4467 | 22053 | 90601904 |
| Psychomotor retardation | 47.46 | 24.33 | 15 | 4475 | 4774 | 90619183 |
| Intentional overdose | 46.61 | 24.33 | 38 | 4452 | 93796 | 90530161 |
| Hyponatraemia | 40.54 | 24.33 | 41 | 4449 | 133497 | 90490460 |
| Cardio-respiratory arrest | 38.78 | 24.33 | 29 | 4461 | 63111 | 90560846 |
| Product monitoring error | 35.95 | 24.33 | 12 | 4478 | 4532 | 90619425 |
| Tension | 34.29 | 24.33 | 11 | 4479 | 3671 | 90620286 |
| Long QT syndrome | 33.29 | 24.33 | 11 | 4479 | 4026 | 90619931 |
| Metabolic syndrome | 32.23 | 24.33 | 9 | 4481 | 1873 | 90622084 |
| Infectious mononucleosis | 31.60 | 24.33 | 9 | 4481 | 2012 | 90621945 |
| Persecutory delusion | 31.59 | 24.33 | 10 | 4480 | 3198 | 90620759 |
| Enuresis | 30.98 | 24.33 | 10 | 4480 | 3404 | 90620553 |
| Loss of consciousness | 30.27 | 24.33 | 36 | 4454 | 140202 | 90483755 |
| Syncope | 30.20 | 24.33 | 35 | 4455 | 132628 | 90491329 |
| Hyperthermia | 29.58 | 24.33 | 13 | 4477 | 10322 | 90613635 |
| Dystonia | 29.21 | 24.33 | 15 | 4475 | 16804 | 90607153 |
| Hepatic function abnormal | 25.64 | 24.33 | 20 | 4470 | 46268 | 90577689 |
| Social anxiety disorder | 25.56 | 24.33 | 6 | 4484 | 627 | 90623330 |
| Blood lactic acid increased | 24.98 | 24.33 | 11 | 4479 | 8767 | 90615190 |
| Salivary hypersecretion | 24.61 | 24.33 | 11 | 4479 | 9081 | 90614876 |
| 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 |
|---|---|---|---|---|---|---|
| Suicide attempt | 77.38 | 24.68 | 43 | 2558 | 46057 | 42572677 |
| Ketoacidosis | 58.60 | 24.68 | 19 | 2582 | 5333 | 42613401 |
| Extrapyramidal disorder | 56.55 | 24.68 | 25 | 2576 | 16387 | 42602347 |
| Neuroleptic malignant syndrome | 53.11 | 24.68 | 26 | 2575 | 21446 | 42597288 |
| Schizophrenia | 52.91 | 24.68 | 21 | 2580 | 10529 | 42608205 |
| Reduced facial expression | 51.27 | 24.68 | 13 | 2588 | 1520 | 42617214 |
| Dissociative disorder | 50.57 | 24.68 | 11 | 2590 | 661 | 42618073 |
| Mental impairment | 46.45 | 24.68 | 20 | 2581 | 12297 | 42606437 |
| Mean cell haemoglobin concentration decreased | 36.72 | 24.68 | 10 | 2591 | 1540 | 42617194 |
| Parkinsonism | 35.99 | 24.68 | 16 | 2585 | 10607 | 42608127 |
| Disturbance in attention | 34.70 | 24.68 | 22 | 2579 | 29844 | 42588890 |
| Panic attack | 32.25 | 24.68 | 15 | 2586 | 11030 | 42607704 |
| Dissociation | 31.71 | 24.68 | 11 | 2590 | 3787 | 42614947 |
| Depressed mood | 29.11 | 24.68 | 18 | 2583 | 23366 | 42595368 |
| Pneumonia aspiration | 28.60 | 24.68 | 24 | 2577 | 50054 | 42568680 |
| Eosinophil count decreased | 28.49 | 24.68 | 10 | 2591 | 3566 | 42615168 |
| Thinking abnormal | 28.22 | 24.68 | 12 | 2589 | 7149 | 42611585 |
| Bradyphrenia | 28.22 | 24.68 | 11 | 2590 | 5251 | 42613483 |
| Mental disorder | 27.98 | 24.68 | 16 | 2585 | 18013 | 42600721 |
| Cognitive disorder | 27.36 | 24.68 | 20 | 2581 | 34152 | 42584582 |
| Fear | 26.27 | 24.68 | 13 | 2588 | 10952 | 42607782 |
| Toxicity to various agents | 25.41 | 24.68 | 48 | 2553 | 229088 | 42389646 |
| Suicidal ideation | 25.29 | 24.68 | 22 | 2579 | 48139 | 42570595 |
| Product prescribing error | 24.88 | 24.68 | 17 | 2584 | 26095 | 42592639 |
| 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 |
|---|---|---|---|---|---|---|
| Suicide attempt | 151.62 | 22.42 | 90 | 7022 | 103304 | 110478883 |
| Electrocardiogram QT prolonged | 149.82 | 22.42 | 91 | 7021 | 108869 | 110473318 |
| Parkinsonism | 118.82 | 22.42 | 47 | 7065 | 22140 | 110560047 |
| Torsade de pointes | 94.16 | 22.42 | 40 | 7072 | 22560 | 110559627 |
| Extrapyramidal disorder | 94.11 | 22.42 | 43 | 7069 | 28824 | 110553363 |
| Neuroleptic malignant syndrome | 69.87 | 22.42 | 37 | 7075 | 34022 | 110548165 |
| Toxicity to various agents | 68.85 | 22.42 | 116 | 6996 | 480439 | 110101748 |
| Psychomotor retardation | 61.74 | 22.42 | 22 | 7090 | 7770 | 110574417 |
| Fall | 59.36 | 22.42 | 124 | 6988 | 603358 | 109978829 |
| Cerebellar syndrome | 58.41 | 22.42 | 20 | 7092 | 6282 | 110575905 |
| Altered state of consciousness | 56.59 | 22.42 | 39 | 7073 | 57587 | 110524600 |
| Somnolence | 55.30 | 22.42 | 81 | 7031 | 297368 | 110284819 |
| Hypokalaemia | 54.80 | 22.42 | 63 | 7049 | 182385 | 110399802 |
| Mental impairment | 53.35 | 22.42 | 27 | 7085 | 22612 | 110559575 |
| Serotonin syndrome | 48.79 | 22.42 | 36 | 7076 | 59117 | 110523070 |
| Dissociative disorder | 48.15 | 22.42 | 12 | 7100 | 1239 | 110580948 |
| Rhabdomyolysis | 47.43 | 22.42 | 48 | 7064 | 120353 | 110461834 |
| Ketoacidosis | 45.84 | 22.42 | 19 | 7093 | 10068 | 110572119 |
| Drug abuse | 44.64 | 22.42 | 56 | 7056 | 177355 | 110404832 |
| Cognitive disorder | 44.16 | 22.42 | 40 | 7072 | 87471 | 110494716 |
| Intentional overdose | 43.61 | 22.42 | 48 | 7064 | 132453 | 110449734 |
| Product prescribing error | 41.79 | 22.42 | 31 | 7081 | 51300 | 110530887 |
| Hypomagnesaemia | 41.56 | 22.42 | 33 | 7079 | 60337 | 110521850 |
| Drug interaction | 41.42 | 22.42 | 96 | 7016 | 500087 | 110082100 |
| Depressed mood | 41.35 | 22.42 | 33 | 7079 | 60776 | 110521411 |
| Fracture | 40.02 | 22.42 | 23 | 7089 | 24765 | 110557422 |
| Schizophrenia | 39.98 | 22.42 | 22 | 7090 | 21804 | 110560383 |
| Hepatic function abnormal | 39.62 | 22.42 | 38 | 7074 | 89257 | 110492930 |
| Reduced facial expression | 39.43 | 22.42 | 13 | 7099 | 3638 | 110578549 |
| Tension | 38.95 | 22.42 | 14 | 7098 | 5064 | 110577123 |
| Ventricular fibrillation | 33.74 | 22.42 | 25 | 7087 | 41288 | 110540899 |
| Disturbance in attention | 30.61 | 22.42 | 28 | 7084 | 61967 | 110520220 |
| Panic attack | 29.38 | 22.42 | 20 | 7092 | 28920 | 110553267 |
| Hyponatraemia | 29.04 | 22.42 | 51 | 7061 | 217602 | 110364585 |
| Mental disorder | 28.41 | 22.42 | 22 | 7090 | 38769 | 110543418 |
| Pneumonia aspiration | 27.71 | 22.42 | 30 | 7082 | 81203 | 110500984 |
| Overdose | 27.66 | 22.42 | 52 | 7060 | 233742 | 110348445 |
| Hyperthermia | 27.22 | 22.42 | 17 | 7095 | 21255 | 110560932 |
| Cardio-respiratory arrest | 26.66 | 22.42 | 35 | 7077 | 115801 | 110466386 |
| Dystonia | 26.59 | 22.42 | 18 | 7094 | 25787 | 110556400 |
| Fear | 25.88 | 22.42 | 17 | 7095 | 23176 | 110559011 |
| Suicidal ideation | 25.78 | 22.42 | 31 | 7081 | 93906 | 110488281 |
| Product monitoring error | 25.06 | 22.42 | 12 | 7100 | 8915 | 110573272 |
| Bradyphrenia | 24.78 | 22.42 | 13 | 7099 | 11715 | 110570472 |
| Atopic keratoconjunctivitis | 24.59 | 22.42 | 4 | 7108 | 45 | 110582142 |
| Long QT syndrome | 24.44 | 22.42 | 11 | 7101 | 7107 | 110575080 |
| Anxiety | 24.00 | 22.42 | 62 | 7050 | 345016 | 110237171 |
| Mean cell haemoglobin concentration decreased | 23.47 | 22.42 | 10 | 7102 | 5672 | 110576515 |
| Enuresis | 23.05 | 22.42 | 9 | 7103 | 4087 | 110578100 |
| Eosinophil count decreased | 22.91 | 22.42 | 10 | 7102 | 6008 | 110576179 |
| Neutrophil count decreased | 22.52 | 22.42 | 33 | 7079 | 120908 | 110461279 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N05AL01 | NERVOUS SYSTEM PSYCHOLEPTICS ANTIPSYCHOTICS Benzamides |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014150 | Antipsychotic Agents |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018492 | Dopamine Antagonists |
| MeSH PA | D018687 | Antidepressive Agents, Second-Generation |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:35474 | anxiolytic drug |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:48561 | dopaminergic antagonist |
| CHEBI has role | CHEBI:50919 | antiemetic |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Schizophrenia | indication | 58214004 | DOID:5419 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.47 | acidic |
| pKa2 | 12.66 | acidic |
| pKa3 | 8.85 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | GPCR | ANTAGONIST | Ki | 8.12 | CHEMBL | IUPHAR | |||
| Alpha-2A adrenergic receptor | GPCR | Ki | 6.12 | DRUG MATRIX | |||||
| D(3) dopamine receptor | GPCR | Ki | 8.10 | CHEMBL | |||||
| D(4) dopamine receptor | GPCR | Ki | 5.68 | CHEMBL | |||||
| Carbonic anhydrase 2 | Enzyme | IC50 | 7.40 | WOMBAT-PK | |||||
| Carbonic anhydrase 1 | Enzyme | Ki | 5.92 | CHEMBL | |||||
| Carbonic anhydrase 9 | Enzyme | Ki | 7.51 | CHEMBL | |||||
| Carbonic anhydrase 12 | Enzyme | Ki | 8.41 | CHEMBL | |||||
| Carbonic anhydrase 5A, mitochondrial | Enzyme | Ki | 6.76 | CHEMBL | |||||
| Carbonic anhydrase 5B, mitochondrial | Enzyme | Ki | 7.74 | CHEMBL | |||||
| Carbonic anhydrase 7 | Enzyme | Ki | 8.44 | CHEMBL | |||||
| Carbonic anhydrase 3 | Enzyme | Ki | 4.97 | CHEMBL | |||||
| Carbonic anhydrase 6 | Enzyme | Ki | 9.10 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 6.75 | CHEMBL | |||||
| D(2) dopamine receptor | GPCR | Kd | 8.82 | CHEMBL | |||||
| D(2) dopamine receptor | GPCR | IC50 | 6.70 | CHEMBL | |||||
| Carbonic anhydrase 15 | Enzyme | Ki | 7.14 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 6.91 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 7.40 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 6.95 | CHEMBL | |||||
| Alpha carbonic anhydrase | Enzyme | Ki | 6.37 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 6.38 | CHEMBL | |||||
| Carbonic anhydrase 2 | Enzyme | Ki | 6.09 | CHEMBL | |||||
| Astrosclerin-3 | Enzyme | Ki | 6.42 | CHEMBL | |||||
| Beta-carbonic anhydrase 1 | Enzyme | Ki | 5.64 | CHEMBL | |||||
| Delta carbonic anhydrase | Enzyme | Ki | 6.59 | CHEMBL | |||||
| Carbonic anhydrase 2 | Enzyme | Ki | 6.58 | CHEMBL | |||||
| Dopamine receptor | GPCR | Ki | 5.80 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 7.53 | CHEMBL | |||||
| Carbonic anhydrase, alpha family | Enzyme | Ki | 6.06 | CHEMBL | |||||
| Carbonate dehydratase | Enzyme | Ki | 7.17 | CHEMBL |
| ID | Source |
|---|---|
| N0000166882 | NUI |
| D01226 | KEGG_DRUG |
| C0038803 | UMLSCUI |
| CHEBI:32168 | CHEBI |
| CHEMBL26 | ChEMBL_ID |
| DB00391 | DRUGBANK_ID |
| D013469 | MESH_DESCRIPTOR_UI |
| 5355 | PUBCHEM_CID |
| 5501 | IUPHAR_LIGAND_ID |
| 2359 | INN_ID |
| 7MNE9M8287 | UNII |
| 10239 | RXNORM |
| 003764 | NDDF |
| 321506004 | SNOMEDCT_US |
| 395891007 | SNOMEDCT_US |
| 7MNE9M8287 | INXIGHT DRUGS |
None