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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1534 | 585-86-4 |
| Dose | Unit | Route |
|---|---|---|
| 10 | g | O |
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 667 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.325 | Moderate | 0.77 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.427 | Moderate | 0.77 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.571 | 10^-6 cm/s | Moderate | 0.77 |
| dh-clint | Dog hepatocyte intrinsic clearance | 0.962 | uL/min/10^6 cells | Moderate | 0.77 |
| dppb | Dog plasma protein binding (% unbound) | 86.050 | % | Moderate | 0.77 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 87.820 | % | Moderate | 0.77 |
| herg | hERG pIC50 | 3.898 | pIC50 | Moderate | 0.77 |
| hh-clint | Human hepatocyte intrinsic clearance | 0.767 | uL/min/10^6 cells | Moderate | 0.77 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.475 | uL/min/mg protein | Moderate | 0.77 |
| hppb | Human plasma protein binding (% unbound) | 78.830 | % | Moderate | 0.77 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK1,NTRK2,PDK2,PDK4,PIK3CB,PIK3CD,PRKDC,SIK2,STK33,TEK | 28 | |||
| kinase-selectivity-class | ACVRL1,CDK2,CHUK,MAP2K6,MAP3K14,PDK1,PIK3CD,ZAP70 | 8 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.612 | Moderate | 0.77 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 0.745 | Moderate | 0.77 | |
| mppb | Mouse plasma protein binding (% unbound) | 92.010 | Moderate | 0.77 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.889 | Moderate | 0.77 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 93.300 | % | Moderate | 0.77 |
| rh-clint | Rat hepatocyte intrinsic clearance | 2.612 | uL/min/10^6 cells | Moderate | 0.77 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 94.770 | % | Moderate | 0.77 |
| rppb | Rat plasma protein binding (% unbound) | 92.720 | % | Moderate | 0.77 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 857.038 | uM | Moderate | 0.77 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Feb. 12, 2020 | FDA | BRAINTREE LABS |
None
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| 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 |
|---|---|---|---|---|---|---|
| Hepatic encephalopathy | 66.56 | 35.51 | 19 | 823 | 28237 | 110560220 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A06AD12 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR CONSTIPATION DRUGS FOR CONSTIPATION Osmotically acting laxatives |
| FDA PE | N0000009875 | Stimulation Small Intestine Fluid/Electrolyte Secretion |
| FDA MoA | N0000010288 | Osmotic Activity |
| MeSH PA | D002400 | Cathartics |
| MeSH PA | D005421 | Flavoring Agents |
| MeSH PA | D005503 | Food Additives |
| MeSH PA | D005765 | Gastrointestinal Agents |
| MeSH PA | D013549 | Sweetening Agents |
| FDA EPC | N0000175811 | Osmotic Laxative |
| CHEBI has role | CHEBI:50503 | laxative |
| CHEBI has role | CHEBI:75324 | excipient |
| CHEBI has role | CHEBI:75325 | cathartic |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Chronic idiopathic constipation | indication | 82934008 | |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| Galactosemia | contraindication | 190745006 | DOID:9870 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.27 | acidic |
| pKa2 | 13.48 | acidic |
| pKa3 | 13.97 | acidic |
| Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Patent number | Patent expiration date | Patent use |
|---|---|---|---|---|---|---|---|---|---|---|
| 10GM | PIZENSY | BRAINTREE LABS | N211281 | Feb. 12, 2020 | DISCN | FOR SOLUTION | ORAL | 10806743 | May 12, 2037 | METHOD OF TREATING CHRONIC IDIOPATHIC CONSTIPATION IN ADULT PATIENTS. |
None
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| ID | Source |
|---|---|
| D08266 | KEGG_DRUG |
| C0064585 | UMLSCUI |
| CHEBI:75323 | CHEBI |
| CHEMBL1661 | ChEMBL_ID |
| DB12942 | DRUGBANK_ID |
| C014635 | MESH_SUPPLEMENTAL_RECORD_UI |
| 157355 | PUBCHEM_CID |
| 6414 | INN_ID |
| L2B0WJF7ZY | UNII |
| 2284606 | RXNORM |
| 23072 | MMSL |
| d06357 | MMSL |
| 003987 | NDDF |
| 317599009 | SNOMEDCT_US |
| 418929008 | SNOMEDCT_US |
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