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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4127 | 56-45-1 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK2,PDK4,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ZAP70 | 46 | |||
| kinase-selectivity-class | ACVR2B,ACVRL1,AXL,BMX,BRAF,CDK9,EPHB4,GRK2,MAP2K6,MAP3K14,MAPK7,PIK3CB,PIK3CD,PIK3CG,PRKDC,STK33,TEK,TGFBR1 | 18 | |||
| 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 | 89.10 | 71.01 | 15 | 133 | 9365 | 90618934 |
None
None
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:75772 | <em>Saccharomyces cerevisiae </em> metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
| CHEBI has role | CHEBI:77746 | human metabolite |
| CHEBI has role | CHEBI:84735 | algal metabolite |
| CHEBI has role | CHEBI:78675 | fundamental metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Acute tuberculosis | indication | 25629007 | |
| Open-angle glaucoma | indication | 84494001 | DOID:1067 |
| Pulmonary tuberculosis | indication | 154283005 | DOID:2957 |
| Escherichia coli urinary tract infection | indication | 301011002 | |
| Bacterial urinary infection | indication | 312124009 | |
| Tuberculosis of meninges | off-label use | 58437007 | |
| Mycobacteriosis | off-label use | 88415009 | |
| Secondary glaucoma | off-label use | 95717004 | |
| Angle-closure glaucoma | off-label use | 392291006 | DOID:13550 |
| Alcoholism | contraindication | 7200002 | |
| Classical phenylketonuria | contraindication | 7573000 | |
| Poisoning by digitalis glycoside | contraindication | 12876009 | |
| Sarcoidosis | contraindication | 31541009 | DOID:11335 |
| Depressive disorder | contraindication | 35489007 | |
| Sideroblastic anemia | contraindication | 41841004 | DOID:8955 |
| End stage renal disease | contraindication | 46177005 | DOID:784 |
| Humoral hypercalcemia of malignancy | contraindication | 47709007 | |
| Megaloblastic anemia | contraindication | 53165003 | DOID:13382 |
| Heart disease | contraindication | 56265001 | DOID:114 |
| Acute nephropathy | contraindication | 58574008 | |
| Hypercalcemia | contraindication | 66931009 | DOID:12678 |
| Psychotic disorder | contraindication | 69322001 | |
| Ventricular fibrillation | contraindication | 71908006 | |
| Hypercalciuria | contraindication | 71938000 | |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Severe anxiety (panic) | contraindication | 80583007 | |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Kidney stone | contraindication | 95570007 | |
| Folic acid deficiency | contraindication | 190633005 | |
| Cobalamin deficiency | contraindication | 190634004 | |
| CNS Toxicity | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.12 | acidic |
| pKa2 | 13.26 | acidic |
| pKa3 | 9.18 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Enzyme | IC50 | 4.42 | CHEMBL | |||||
| Acetylcholinesterase | Enzyme | IC50 | 7.82 | CHEMBL | |||||
| Cholinesterase | Enzyme | IC50 | 7.80 | CHEMBL | |||||
| Gamma-glutamyltranspeptidase 1 | Enzyme | Ki | 4.30 | CHEMBL | |||||
| Asc-type amino acid transporter 1 | Transporter | IC50 | 5.02 | CHEMBL | |||||
| Amino acid transporter | Transporter | IC50 | 4.24 | CHEMBL |
| ID | Source |
|---|---|
| 4018675 | VUID |
| N0000146986 | NUI |
| D00016 | KEGG_DRUG |
| 4018675 | VANDF |
| C0036720 | UMLSCUI |
| CHEBI:17115 | CHEBI |
| SER | PDB_CHEM_ID |
| CHEMBL11298 | ChEMBL_ID |
| D012694 | MESH_DESCRIPTOR_UI |
| DB00133 | DRUGBANK_ID |
| 6170 | INN_ID |
| 452VLY9402 | UNII |
| 5951 | PUBCHEM_CID |
| 9671 | RXNORM |
| NOCODE | MMSL |
| 006607 | NDDF |
| 14125007 | SNOMEDCT_US |
| 726 | IUPHAR_LIGAND_ID |
| 452VLY9402 | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| TrophAmine | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0264-1933 | SOLUTION | 0.38 g | INTRAVENOUS | NDA | 23 sections |
| Plenamine | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0264-4500 | SOLUTION | 592 mg | INTRAVENOUS | ANDA | 20 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0180 | INJECTION | 400 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0184 | INJECTION | 400 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0188 | INJECTION | 400 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0194 | INJECTION | 400 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0198 | INJECTION | 300 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0202 | INJECTION | 400 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0206 | INJECTION | 400 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0210 | INJECTION | 400 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0214 | INJECTION | 400 mg | INTRAVENOUS | NDA | 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 | 592 mg | INTRAVENOUS | ANDA | 18 sections |
| Travasol | HUMAN PRESCRIPTION DRUG LABEL | 15 | 0338-0644 | INJECTION | 500 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1089 | INJECTION | 213 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1091 | INJECTION | 213 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1099 | INJECTION | 250 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1101 | INJECTION | 250 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1113 | INJECTION | 213 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1115 | INJECTION | 213 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1123 | INJECTION | 250 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1125 | INJECTION | 250 mg | INTRAVENOUS | NDA | 20 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1130 | INJECTION, SOLUTION | 0.38 g | INTRAVENOUS | ANDA | 15 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1131 | INJECTION, SOLUTION | 0.23 g | INTRAVENOUS | ANDA | 15 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1133 | INJECTION | 213 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1134 | INJECTION | 213 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1137 | INJECTION | 250 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1138 | INJECTION | 250 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1142 | INJECTION | 138 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1144 | INJECTION | 213 mg | INTRAVENOUS | NDA | 20 sections |