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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1310 | 56-86-0 |
| Dose | Unit | Route |
|---|---|---|
| 1.50 | g | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 582.58 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK2,PDK4,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 57 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,EPHB4,GRK2,MAP2K6,MAP3K14,MAPK7,STK33,TEK,TGFBR1 | 11 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
| 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 |
|---|---|---|---|---|---|---|
| Foetal growth restriction | 79.91 | 55.88 | 15 | 252 | 9365 | 90618815 |
| 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 |
|---|---|---|---|---|---|---|
| Toxic epidermal necrolysis | 66.21 | 60.73 | 18 | 260 | 26732 | 42594325 |
| 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 |
|---|---|---|---|---|---|---|
| Toxic epidermal necrolysis | 57.65 | 44.77 | 17 | 407 | 56710 | 110532165 |
| Compartment syndrome | 57.20 | 44.77 | 11 | 413 | 5899 | 110582976 |
| Vasoplegia syndrome | 45.72 | 44.77 | 9 | 415 | 5430 | 110583445 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A09AB01 | ALIMENTARY TRACT AND METABOLISM DIGESTIVES, INCL. ENZYMES DIGESTIVES, INCL. ENZYMES Acid preparations |
| CHEBI has role | CHEBI:25512 | neurotransmitter |
| CHEBI has role | CHEBI:27027 | micronutrient |
| CHEBI has role | CHEBI:50733 | nutraceutical |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
| CHEBI has role | CHEBI:173085 | ferroptosis inducer |
| CHEBI has role | CHEBI:78675 | fundamental metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Classical phenylketonuria | contraindication | 7573000 | |
| Poisoning by digitalis glycoside | contraindication | 12876009 | |
| Sarcoidosis | contraindication | 31541009 | DOID:11335 |
| Dehydration | contraindication | 34095006 | |
| End stage renal disease | contraindication | 46177005 | DOID:784 |
| Humoral hypercalcemia of malignancy | contraindication | 47709007 | |
| Heart disease | contraindication | 56265001 | DOID:114 |
| Hypercalcemia | contraindication | 66931009 | DOID:12678 |
| Hyperparathyroidism | contraindication | 66999008 | DOID:13543 |
| Ventricular fibrillation | contraindication | 71908006 | |
| Hypercalciuria | contraindication | 71938000 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Kidney stone | contraindication | 95570007 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.97 | acidic |
| pKa2 | 3.6 | acidic |
| pKa3 | 10.35 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | GPCR | IC50 | 6.21 | CHEMBL | |||||
| Glutathione reductase, mitochondrial | Enzyme | Ki | 4.37 | CHEMBL | |||||
| Glutamate receptor 1 | Ion channel | Ki | 5.87 | CHEMBL | |||||
| Glutamate receptor ionotropic, kainate 1 | Ion channel | Ki | 6.15 | CHEMBL | |||||
| Glutamate receptor 2 | Ion channel | Ki | 6.03 | CHEMBL | |||||
| Metabotropic glutamate receptor 1 | GPCR | Ki | 6.60 | CHEMBL | |||||
| Glutamate dehydrogenase 1, mitochondrial | Enzyme | WOMBAT-PK | |||||||
| Glutamate dehydrogenase 2, mitochondrial | Enzyme | WOMBAT-PK | |||||||
| Glutamate receptor ionotropic, kainate 5 | Ion channel | Ki | 6.15 | CHEMBL | |||||
| Metabotropic glutamate receptor 5 | GPCR | Ki | 6.41 | CHEMBL | |||||
| Metabotropic glutamate receptor 4 | GPCR | Ki | 5.85 | CHEMBL | |||||
| Glutamate receptor 4 | Ion channel | Ki | 6.06 | CHEMBL | |||||
| Glutamate receptor ionotropic, kainate 2 | Ion channel | Ki | 5.96 | CHEMBL | |||||
| Glutamate receptor ionotropic, kainate 3 | Ion channel | Ki | 6.10 | CHEMBL | |||||
| Metabotropic glutamate receptor 7 | GPCR | EC50 | 5.93 | CHEMBL | |||||
| Metabotropic glutamate receptor 6 | GPCR | EC50 | 5.31 | CHEMBL | |||||
| Metabotropic glutamate receptor 2 | GPCR | EC50 | 6.54 | CHEMBL | |||||
| Excitatory amino acid transporter 1 | Transporter | Ki | 4.46 | CHEMBL | |||||
| Excitatory amino acid transporter 2 | Transporter | Ki | 4.21 | CHEMBL | |||||
| Excitatory amino acid transporter 3 | Transporter | Ki | 7.29 | CHEMBL | |||||
| Glutamate receptor 3 | Ion channel | Ki | 6.60 | PDSP | |||||
| Glutamate receptor ionotropic, kainate 4 | Ion channel | Ki | 7.74 | PDSP | |||||
| Metabotropic glutamate receptor 3 | GPCR | AGONIST | Ki | 7.40 | IUPHAR | ||||
| Metabotropic glutamate receptor 8 | GPCR | AGONIST | IC50 | 5.70 | IUPHAR | ||||
| Glutamate receptor ionotropic, kainate 3 | Ion channel | Ki | 6.31 | CHEMBL | |||||
| Glutamate racemase | Enzyme | Ki | 4.55 | CHEMBL | |||||
| Metabotropic glutamate receptor 8 | GPCR | Ki | 5.47 | CHEMBL | |||||
| Metabotropic glutamate receptor 8 | GPCR | EC50 | 7.66 | CHEMBL | |||||
| Metabotropic glutamate receptor 5 | GPCR | EC50 | 5.36 | CHEMBL | |||||
| Glutamate receptor 2 | Ion channel | Ki | 6.55 | CHEMBL | |||||
| Glutamate receptor ionotropic, NMDA 1 | Ion channel | EC50 | 5.54 | CHEMBL | |||||
| Glutamate receptor ionotropic, kainate 2 | Ion channel | Ki | 5.48 | CHEMBL | |||||
| Glutamate receptor ionotropic, kainate 1 | Ion channel | Ki | 6.85 | CHEMBL | |||||
| Metabotropic glutamate receptor 4 | GPCR | EC50 | 4.92 | CHEMBL | |||||
| Metabotropic glutamate receptor 6 | GPCR | EC50 | 4.80 | CHEMBL | |||||
| Glutamate receptor 1 | Ion channel | EC50 | 4.46 | CHEMBL | |||||
| Glutamate receptor 3 | Ion channel | EC50 | 4 | CHEMBL | |||||
| Glutamate receptor 4 | Ion channel | EC50 | 4.77 | CHEMBL | |||||
| Metabotropic glutamate receptor 1 | GPCR | EC50 | 5 | CHEMBL | |||||
| Metabotropic glutamate receptor 2 | GPCR | EC50 | 5.40 | CHEMBL | |||||
| Metabotropic glutamate receptor 3 | GPCR | EC50 | 5.52 | CHEMBL | |||||
| Glutamate racemase | Enzyme | Ki | 5.24 | CHEMBL | |||||
| Excitatory amino acid transporter 4 | Transporter | IC50 | 4.89 | CHEMBL |
| ID | Source |
|---|---|
| D00007 | KEGG_DRUG |
| 138-15-8 | SECONDARY_CAS_RN |
| 4018681 | VANDF |
| C0061472 | UMLSCUI |
| CHEBI:16015 | CHEBI |
| GLU | PDB_CHEM_ID |
| CHEMBL575060 | ChEMBL_ID |
| DB00142 | DRUGBANK_ID |
| CHEMBL1255943 | ChEMBL_ID |
| D018698 | MESH_DESCRIPTOR_UI |
| 33032 | PUBCHEM_CID |
| 66 | INN_ID |
| 3KX376GY7L | UNII |
| 25916 | RXNORM |
| 4788 | MMSL |
| 4823 | MMSL |
| 7086 | MMSL |
| NOCODE | MMSL |
| d00487 | MMSL |
| 001113 | NDDF |
| 008075 | NDDF |
| 010581 | NDDF |
| 38909000 | SNOMEDCT_US |
| 42271003 | SNOMEDCT_US |
| 85214009 | SNOMEDCT_US |
| 1369 | IUPHAR_LIGAND_ID |
| 3KX376GY7L | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| TrophAmine | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0264-1933 | SOLUTION | 0.50 g | INTRAVENOUS | NDA | 23 sections |
| Plenamine | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0264-4500 | SOLUTION | 749 mg | INTRAVENOUS | ANDA | 20 sections |
| ProSol | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0338-0499 | INJECTION, SOLUTION | 1.02 g | INTRAVENOUS | NDA | 21 sections |
| Clinisol | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0338-0502 | INJECTION, SOLUTION | 749 mg | INTRAVENOUS | ANDA | 18 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1130 | INJECTION, SOLUTION | 0.50 g | INTRAVENOUS | ANDA | 15 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1131 | INJECTION, SOLUTION | 0.30 g | INTRAVENOUS | ANDA | 15 sections |
| Aminosyn-PF | HUMAN PRESCRIPTION DRUG LABEL | 18 | 0990-4178 | INJECTION, SOLUTION | 576 mg | INTRAVENOUS | NDA | 13 sections |
| Aminosyn-PF | HUMAN PRESCRIPTION DRUG LABEL | 18 | 0990-4178 | INJECTION, SOLUTION | 576 mg | INTRAVENOUS | NDA | 13 sections |
| Aminosyn-PF | HUMAN PRESCRIPTION DRUG LABEL | 18 | 0990-4179 | INJECTION, SOLUTION | 820 mg | INTRAVENOUS | NDA | 14 sections |
| Aminosyn-PF | HUMAN PRESCRIPTION DRUG LABEL | 18 | 0990-4179 | INJECTION, SOLUTION | 820 mg | INTRAVENOUS | NDA | 14 sections |
| Aminosyn II | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0990-7171 | INJECTION, SOLUTION | 1107 mg | INTRAVENOUS | NDA | 19 sections |
| Aminosyn II | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0990-7171 | INJECTION, SOLUTION | 1107 mg | INTRAVENOUS | NDA | 19 sections |
| Aminosyn II | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0990-7172 | INJECTION, SOLUTION | 738 mg | INTRAVENOUS | NDA | 19 sections |
| Aminosyn II | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0990-7172 | INJECTION, SOLUTION | 738 mg | INTRAVENOUS | NDA | 19 sections |
| Kabiven | HUMAN PRESCRIPTION DRUG LABEL | 24 | 63323-712 | INJECTION, EMULSION | 164 mg | INTRAVENOUS | NDA | 26 sections |
| Perikabiven | HUMAN PRESCRIPTION DRUG LABEL | 24 | 63323-714 | INJECTION, EMULSION | 116 mg | INTRAVENOUS | NDA | 26 sections |
| Women Secret Care | HUMAN OTC DRUG LABEL | 2 | 72530-102 | GEL | 1.74 g | TOPICAL | unapproved drug other | 8 sections |
| Stemega anti hair loss gel | HUMAN OTC DRUG LABEL | 1 | 83117-008 | GEL | 0.10 g | CUTANEOUS | unapproved drug other | 11 sections |