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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2144 | 63-91-2 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.398 | Moderate | 0.78 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.412 | Moderate | 0.78 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.327 | 10^-6 cm/s | Moderate | 0.78 |
| dh-clint | Dog hepatocyte intrinsic clearance | 0.938 | uL/min/10^6 cells | Moderate | 0.78 |
| dppb | Dog plasma protein binding (% unbound) | 88.730 | % | Moderate | 0.78 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 82.020 | % | Moderate | 0.78 |
| herg | hERG pIC50 | 4.980 | pIC50 | Moderate | 0.78 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.758 | uL/min/10^6 cells | Moderate | 0.78 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.048 | uL/min/mg protein | Moderate | 0.78 |
| hppb | Human plasma protein binding (% unbound) | 94.910 | % | Moderate | 0.78 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,SIK2,SYK,TEK,TGFBR1 | 29 | |||
| kinase-selectivity-class | AXL,GRK2,MAP2K6,PDK4 | 4 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.950 | Moderate | 0.78 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 1.416 | Moderate | 0.78 | |
| mppb | Mouse plasma protein binding (% unbound) | 95.760 | Moderate | 0.78 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.733 | Moderate | 0.78 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 91.410 | % | Moderate | 0.78 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.057 | uL/min/10^6 cells | Moderate | 0.78 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 88.350 | % | Moderate | 0.78 |
| rppb | Rat plasma protein binding (% unbound) | 92.010 | % | Moderate | 0.78 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 881.049 | uM | Moderate | 0.78 |
| 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 | 89.65 | 69.82 | 15 | 128 | 9365 | 90618939 |
None
None
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:27027 | micronutrient |
| CHEBI has role | CHEBI:50733 | nutraceutical |
| CHEBI has role | CHEBI:63332 | EC 3.1.3.1 (alkaline phosphatase) inhibitor |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:75772 | <em>Saccharomyces cerevisiae </em> metabolite |
| CHEBI has role | CHEBI:76924 | plant metabolite |
| CHEBI has role | CHEBI:76967 | human xenobiotic metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
| CHEBI has role | CHEBI:84735 | algal metabolite |
| CHEBI has role | CHEBI:83056 | <em>Daphnia magna</em> metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Classical phenylketonuria | contraindication | 7573000 | |
| Poisoning by digitalis glycoside | contraindication | 12876009 | |
| Sarcoidosis | contraindication | 31541009 | DOID:11335 |
| 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 |
| 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 | 2.27 | acidic |
| pKa2 | 9.25 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Large neutral amino acids transporter small subunit 1 | Transporter | IC50 | 4.16 | CHEMBL | |||||
| Probable G-protein coupled receptor 139 | GPCR | AGONIST | IC50 | 4.51 | IUPHAR | ||||
| Intestinal-type alkaline phosphatase | Enzyme | IC50 | 4 | CHEMBL | |||||
| E3 ubiquitin-protein ligase XIAP | Enzyme | IC50 | 4.10 | CHEMBL | |||||
| Pyruvate kinase PKM | Enzyme | IC50 | 10.26 | CHEMBL | |||||
| Voltage-dependent calcium channel subunit alpha-2/delta-1 | Ion channel | Ki | 6.01 | CHEMBL | |||||
| L-type amino acid transporter 1 | Transporter | Ki | 4.26 | CHEMBL | |||||
| Intestinal alkaline phosphatase | Enzyme | IC50 | 4.10 | CHEMBL |
| ID | Source |
|---|---|
| 4018673 | VUID |
| N0000146984 | NUI |
| 4018673 | VANDF |
| C0031453 | UMLSCUI |
| CHEBI:17295 | CHEBI |
| PHE | PDB_CHEM_ID |
| CHEMBL301523 | ChEMBL_ID |
| DB00120 | DRUGBANK_ID |
| D010649 | MESH_DESCRIPTOR_UI |
| 6140 | PUBCHEM_CID |
| 6168 | INN_ID |
| 47E5O17Y3R | UNII |
| 8156 | RXNORM |
| 40037 | MMSL |
| NOCODE | MMSL |
| 003542 | NDDF |
| 1342410001 | SNOMEDCT_US |
| 421626005 | SNOMEDCT_US |
| 63004003 | SNOMEDCT_US |
| 3313 | IUPHAR_LIGAND_ID |
| 47E5O17Y3R | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| TrophAmine | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0264-1933 | SOLUTION | 0.48 g | INTRAVENOUS | NDA | 23 sections |
| Plenamine | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0264-4500 | SOLUTION | 1.04 g | INTRAVENOUS | ANDA | 20 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0180 | INJECTION | 448 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0184 | INJECTION | 448 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0188 | INJECTION | 448 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0194 | INJECTION | 448 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0198 | INJECTION | 336 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0202 | INJECTION | 448 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0206 | INJECTION | 448 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0210 | INJECTION | 448 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0214 | INJECTION | 448 mg | INTRAVENOUS | NDA | 20 sections |
| ProSol | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0338-0499 | INJECTION, SOLUTION | 1 g | INTRAVENOUS | NDA | 21 sections |
| Clinisol | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0338-0502 | INJECTION, SOLUTION | 1.04 g | INTRAVENOUS | ANDA | 18 sections |
| Travasol | HUMAN PRESCRIPTION DRUG LABEL | 15 | 0338-0644 | INJECTION | 560 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1089 | INJECTION | 238 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1091 | INJECTION | 238 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1099 | INJECTION | 280 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1101 | INJECTION | 280 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1113 | INJECTION | 238 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1115 | INJECTION | 238 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1123 | INJECTION | 280 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1125 | INJECTION | 280 mg | INTRAVENOUS | NDA | 20 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1130 | INJECTION, SOLUTION | 0.48 g | INTRAVENOUS | ANDA | 15 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1131 | INJECTION, SOLUTION | 0.29 g | INTRAVENOUS | ANDA | 15 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1133 | INJECTION | 238 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1134 | INJECTION | 238 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1137 | INJECTION | 280 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1138 | INJECTION | 280 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1142 | INJECTION | 154 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1144 | INJECTION | 238 mg | INTRAVENOUS | NDA | 20 sections |