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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 347 | 590-46-5 |
| Dose | Unit | Route |
|---|---|---|
| 1 | g | O |
| 6 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
| S (Water solubility) | 1570 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 58 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CAMK2D,CDK4,DDR1,DYRK1B,EPHB4,FLT3,GRK2,MAPK7,STK33,TTK | 13 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Oct. 25, 1996 | FDA | RARE DIS THERAP | |
| Feb. 14, 2007 | EMA | Orphan Europe S.A.R.L. |
| 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 |
|---|---|---|---|---|---|---|
| Hypermethioninaemia | 83.09 | 30.11 | 9 | 485 | 51 | 90627902 |
| Brain oedema | 41.51 | 30.11 | 11 | 483 | 17374 | 90610579 |
| Intracranial pressure increased | 35.09 | 30.11 | 8 | 486 | 6803 | 90621150 |
| 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 |
|---|---|---|---|---|---|---|
| Overdose | 73.14 | 44.86 | 27 | 261 | 105237 | 42515810 |
| 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 |
|---|---|---|---|---|---|---|
| Hypermethioninaemia | 107.76 | 34.79 | 12 | 709 | 74 | 110588504 |
| Overdose | 83.42 | 34.79 | 37 | 684 | 233757 | 110354821 |
| Intracranial pressure increased | 50.13 | 34.79 | 12 | 709 | 10523 | 110578055 |
| Treatment noncompliance | 48.09 | 34.79 | 18 | 703 | 72972 | 110515606 |
| Brain oedema | 45.62 | 34.79 | 14 | 707 | 31084 | 110557494 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A09AB02 | ALIMENTARY TRACT AND METABOLISM DIGESTIVES, INCL. ENZYMES DIGESTIVES, INCL. ENZYMES Acid preparations |
| ATC | A16AA06 | ALIMENTARY TRACT AND METABOLISM OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS Amino acids and derivatives |
| MeSH PA | D000960 | Hypolipidemic Agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D005765 | Gastrointestinal Agents |
| MeSH PA | D008082 | Lipotropic Agents |
| MeSH PA | D057847 | Lipid Regulating Agents |
| FDA MoA | N0000175804 | Methylating Activity |
| FDA EPC | N0000175805 | Methylating Agent |
| CHEBI has role | CHEBI:78675 | fundamental metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Homocystinuria | indication | 11282001 | DOID:9263 |
| Cystitis | indication | 38822007 | DOID:1679 |
| Klebsiella cystitis | indication | 60867007 | |
| Infective cystitis | indication | 236620008 | |
| Escherichia coli urinary tract infection | indication | 301011002 | |
| Bacterial urinary infection | indication | 312124009 | |
| Urinary tract infection caused by Klebsiella | indication | 369001000119100 | |
| E. Coli Pyelonephritis | indication | ||
| Enterococcus Complicated UTI | indication | ||
| Complicated Proteus UTI | indication | ||
| Complicated UTI with Pseudomonas Aeruginosa | indication | ||
| Cerebral edema | contraindication | 2032001 | |
| Achilles tendinitis | contraindication | 11654001 | |
| Lowered convulsive threshold | contraindication | 19260006 | |
| Short bowel syndrome | contraindication | 26629001 | DOID:10605 |
| Torsades de pointes | contraindication | 31722008 | |
| Transplantation of heart | contraindication | 32413006 | |
| Crohn's disease | contraindication | 34000006 | |
| Tendinitis | contraindication | 34840004 | DOID:971 |
| Hypermethioninemia | contraindication | 43123004 | |
| Hypokalemia | contraindication | 43339004 | |
| Transplant of kidney | contraindication | 70536003 | |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Transplant of lung | contraindication | 88039007 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Prolonged QT interval | contraindication | 111975006 | |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| Acute pancreatitis | contraindication | 197456007 | DOID:2913 |
| Meconium ileus | contraindication | 206523001 | |
| Peripheral nerve disease | contraindication | 302226006 | |
| Operation on gastrointestinal tract | contraindication | 386621005 | |
| Pseudomembranous enterocolitis | contraindication | 397683000 | |
| Traumatic rupture of tendon | contraindication | 415749005 | |
| Congenital long QT syndrome | contraindication | 442917000 | |
| Shoulder Tendonitis | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.89 | acidic |
None
None
None
| ID | Source |
|---|---|
| 4019632 | VUID |
| N0000147725 | NUI |
| D03103 | KEGG_DRUG |
| 1512 | RXNORM |
| C0005304 | UMLSCUI |
| CHEBI:17750 | CHEBI |
| CHEMBL95889 | ChEMBL_ID |
| 247 | PUBCHEM_CID |
| DB06756 | DRUGBANK_ID |
| CHEMBL1182 | ChEMBL_ID |
| CHEMBL1201130 | ChEMBL_ID |
| D001622 | MESH_DESCRIPTOR_UI |
| 4550 | IUPHAR_LIGAND_ID |
| 3SCV180C9W | UNII |
| 11810 | MMSL |
| 14793 | MMSL |
| 167417 | MMSL |
| 167421 | MMSL |
| 46863 | MMSL |
| d04875 | MMSL |
| BET | PDB_CHEM_ID |
| 107-43-7 | SECONDARY_CAS_RN |
| 4018110 | VANDF |
| 4019632 | VANDF |
| 001115 | NDDF |
| 004543 | NDDF |
| 006281 | NDDF |
| 391841000 | SNOMEDCT_US |
| 413645006 | SNOMEDCT_US |
| 43356007 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Betaine | Human Prescription Drug Label | 1 | 0713-0352 | POWDER, FOR SOLUTION | 1 g | ORAL | ANDA | 23 sections |
| FACE IT HD PERFECT BB SPF30 PA 01 | HUMAN OTC DRUG LABEL | 5 | 51523-103 | CREAM | 2 mL | TOPICAL | OTC monograph not final | 7 sections |
| FACE IT HD PERFECT BB SPF30 PA 02 | HUMAN OTC DRUG LABEL | 5 | 51523-104 | CREAM | 2 mL | TOPICAL | OTC monograph not final | 7 sections |
| Cystadane | HUMAN PRESCRIPTION DRUG LABEL | 1 | 52276-400 | POWDER, FOR SOLUTION | 1 g | ORAL | NDA | 16 sections |
| Cystadane | HUMAN PRESCRIPTION DRUG LABEL | 1 | 52276-401 | POWDER, FOR SOLUTION | 1 g | ORAL | Unapproved drug for use in drug shortage | 3 sections |
| Betaine Anhydrous For Oral Solution | HUMAN PRESCRIPTION DRUG LABEL | 1 | 55792-002 | POWDER, FOR SOLUTION | 1 g | ORAL | ANDA | 16 sections |
| PaxLyte | HUMAN PRESCRIPTION DRUG LABEL | 18 | 64661-217 | CAPSULE | 500 mg | ORAL | unapproved drug other | 9 sections |
| EnBrace HR | HUMAN PRESCRIPTION DRUG LABEL | 16 | 64661-650 | CAPSULE, DELAYED RELEASE PELLETS | 500 ug | ORAL | UNAPPROVED DRUG OTHER | 11 sections |
| ATONO2 Oxygen Baby | HUMAN OTC DRUG LABEL | 1 | 70993-0005 | LOTION | 0.20 g | TOPICAL | unapproved drug other | 6 sections |
| Wizyoung Vitamin Collagen Essence Mask Pack | HUMAN OTC DRUG LABEL | 2 | 71102-100 | PATCH | 0.75 g | TOPICAL | unapproved drug other | 8 sections |
| Wizyoung Diamond Collagen Essence Mask Pack | HUMAN OTC DRUG LABEL | 2 | 71102-101 | PATCH | 0.75 g | TOPICAL | unapproved drug other | 8 sections |
| Betaine Anhydrous | HUMAN PRESCRIPTION DRUG LABEL | 1 | 71863-115 | POWDER, FOR SOLUTION | 1 g | ORAL | ANDA | 16 sections |
| Betaine Anhydrous | HUMAN PRESCRIPTION DRUG LABEL | 1 | 71863-115 | POWDER, FOR SOLUTION | 1 g | ORAL | ANDA | 16 sections |
| CELRAUM PHEROMONE FRAGRANCE LOVELY PERFUME | HUMAN OTC DRUG LABEL | 6 | 75368-040 | SHAMPOO | 1.50 g | TOPICAL | unapproved drug other | 9 sections |
| HWASAMONG Dr.All Scalp HealingShampoo | HUMAN OTC DRUG LABEL | 2 | 76678-0001 | SHAMPOO | 0.50 g | TOPICAL | unapproved drug other | 7 sections |
| Anubis Barcelona Total Hydrating | HUMAN OTC DRUG LABEL | 10 | 83021-692 | LOTION | 5 g | TOPICAL | OTC monograph final | 9 sections |
| Dr.Jucre Rebirth Activating Toner | HUMAN OTC DRUG LABEL | 1 | 83071-020 | LIQUID | 0.00 g | TOPICAL | unapproved drug other | 10 sections |
| YVTYVT MICRODERMABRASION FACIAL SCRUB | HUMAN OTC DRUG LABEL | 4 | 85212-0018 | OINTMENT | 2 g | EXTRACORPOREAL | OTC Monograph Drug | 8 sections |
| YVTYVT COPPER PEPTIDES FACIAL SERUM | HUMAN OTC DRUG LABEL | 4 | 85212-0020 | CREAM | 5 g | EXTRACORPOREAL | OTC Monograph Drug | 10 sections |
| Dr. Drop NMN Vital Balance (Drop No.1 Cream 90g) | HUMAN OTC DRUG LABEL | 12 | 85514-7538 | CREAM | 1 g | TOPICAL | unapproved drug other | 9 sections |