Stem definition | Drug id | CAS RN |
---|---|---|
sulpiride derivatives | 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 µM/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 |
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 |
---|---|---|---|---|---|---|
Torsade de pointes | 152.36 | 105.06 | 26 | 195 | 2220 | 2355644 |
Electrocardiogram QT prolonged | 137.23 | 105.06 | 29 | 192 | 7785 | 2350079 |
Parkinsonism | 126.72 | 105.06 | 21 | 200 | 1484 | 2356380 |
Ventricular fibrillation | 125.48 | 105.06 | 22 | 199 | 2179 | 2355685 |
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 |
---|---|---|---|---|---|---|
Neuroleptic malignant syndrome | 125.79 | 49.60 | 24 | 142 | 3124 | 1743491 |
Parkinsonism | 70.52 | 49.60 | 13 | 153 | 1356 | 1745259 |
Poisoning deliberate | 56.39 | 49.60 | 10 | 156 | 832 | 1745783 |
Abdominal pain upper | 52.49 | 49.60 | 15 | 151 | 10986 | 1735629 |
Source | Code | Description |
---|---|---|
ATC | N05AL01 | NERVOUS SYSTEM PSYCHOLEPTICS ANTIPSYCHOTICS Benzamides |
MeSH PA | D000928 | Antidepressive Agents |
MeSH PA | D018687 | Antidepressive Agents, Second-Generation |
MeSH PA | D014150 | Antipsychotic Agents |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D002492 | Central Nervous System Depressants |
MeSH PA | D015259 | Dopamine Agents |
MeSH PA | D018492 | Dopamine Antagonists |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D011619 | Psychotropic Drugs |
CHEBI has role | CHEBI:35469 | antidepressant |
CHEBI has role | CHEBI:50919 | antiemetic |
CHEBI has role | CHEBI:35476 | antipsychotic agent |
CHEBI has role | CHEBI:48561 | dopaminergic antagonist |
MeSH PA | D014149 | Tranquilizing Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Schizophrenia | indication | 58214004 | DOID:5419 |
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 | |||
Carbonic anhydrase 2 | Enzyme | IC50 | 7.40 | WOMBAT-PK | |||||
Carbonic anhydrase 5A, mitochondrial | Enzyme | Ki | 6.76 | CHEMBL | |||||
Carbonic anhydrase 12 | Enzyme | Ki | 8.41 | CHEMBL | |||||
D(4) dopamine receptor | GPCR | Ki | 5.68 | CHEMBL | |||||
D(3) dopamine receptor | GPCR | Ki | 8.10 | CHEMBL | |||||
Carbonic anhydrase 3 | Enzyme | Ki | 4.97 | CHEMBL | |||||
Carbonic anhydrase 7 | Enzyme | Ki | 8.44 | CHEMBL | |||||
Carbonic anhydrase 9 | Enzyme | Ki | 7.51 | CHEMBL | |||||
Carbonic anhydrase 1 | Enzyme | Ki | 5.92 | CHEMBL | |||||
Carbonic anhydrase 5B, mitochondrial | Enzyme | Ki | 7.74 | CHEMBL | |||||
Carbonic anhydrase 6 | Enzyme | Ki | 9.10 | CHEMBL | |||||
Alpha-2A adrenergic receptor | GPCR | Ki | 6.12 | DRUG MATRIX | |||||
Dopamine receptor | GPCR | Ki | 5.80 | CHEMBL | |||||
Alpha carbonic anhydrase | Unclassified | Ki | 6.37 | CHEMBL | |||||
Astrosclerin-3 | Unclassified | Ki | 6.42 | CHEMBL | |||||
Beta-carbonic anhydrase 1 | Enzyme | Ki | 5.64 | CHEMBL | |||||
Carbonic anhydrase | Unclassified | Ki | 6.38 | CHEMBL | |||||
Delta carbonic anhydrase | Unclassified | Ki | 6.59 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 6.91 | CHEMBL | |||||
D(2) dopamine receptor | GPCR | IC50 | 6.70 | CHEMBL | |||||
D(2) dopamine receptor | GPCR | Kd | 8.82 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 6.75 | CHEMBL | |||||
Carbonic anhydrase 15 | Enzyme | Ki | 7.14 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 7.40 | CHEMBL | |||||
Carbonic anhydrase 2 | Enzyme | Ki | 6.58 | CHEMBL | |||||
Carbonic anhydrase | Unclassified | Ki | 7.53 | CHEMBL | |||||
Carbonic anhydrase | Enzyme | Ki | 6.95 | CHEMBL |
ID | Source |
---|---|
N0000166882 | NUI |
C0038803 | UMLSCUI |
D01226 | KEGG_DRUG |
7MNE9M8287 | UNII |
2359 | INN_ID |
321506004 | SNOMEDCT_US |
10239 | RXNORM |
395891007 | SNOMEDCT_US |
003764 | NDDF |
CHEMBL26 | ChEMBL_ID |
DB00391 | DRUGBANK_ID |
CHEBI:32168 | CHEBI |
D013469 | MESH_DESCRIPTOR_UI |
5355 | PUBCHEM_CID |
5501 | IUPHAR_LIGAND_ID |
None