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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2786 | 60-18-4 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -2.608 | Moderate | 0.67 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.214 | Moderate | 0.67 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.820 | 10^-6 cm/s | Moderate | 0.67 |
| dh-clint | Dog hepatocyte intrinsic clearance | 0.959 | uL/min/10^6 cells | Moderate | 0.67 |
| dppb | Dog plasma protein binding (% unbound) | 89.460 | % | Moderate | 0.67 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 80.870 | % | Moderate | 0.67 |
| herg | hERG pIC50 | 5.021 | pIC50 | Moderate | 0.67 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.178 | uL/min/10^6 cells | Moderate | 0.67 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.597 | uL/min/mg protein | Moderate | 0.67 |
| hppb | Human plasma protein binding (% unbound) | 93.350 | % | Moderate | 0.67 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 | 38 | |||
| kinase-selectivity-class | AXL,GRK2,MAP2K6 | 3 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.304 | Moderate | 0.65 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.853 | Moderate | 0.67 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 1.820 | Moderate | 0.67 | |
| mppb | Mouse plasma protein binding (% unbound) | 96.630 | Moderate | 0.67 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.346 | Moderate | 0.67 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 91.750 | % | Moderate | 0.67 |
| rat-kpuu-brain | Rat brain Kpuu | 0.018 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.199 | uL/min/10^6 cells | Moderate | 0.67 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 88.630 | % | Moderate | 0.67 |
| rppb | Rat plasma protein binding (% unbound) | 88.470 | % | Moderate | 0.67 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 826.038 | uM | Moderate | 0.67 |
| 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 | 62.55 | 22.23 | 15 | 821 | 9365 | 90618246 |
| Infantile apnoea | 44.15 | 22.23 | 8 | 828 | 1279 | 90626332 |
| Selective eating disorder | 40.43 | 22.23 | 8 | 828 | 2045 | 90625566 |
| Cerebral haemorrhage | 31.95 | 22.23 | 12 | 824 | 34510 | 90593101 |
| Device related sepsis | 28.53 | 22.23 | 7 | 829 | 4786 | 90622825 |
None
None
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:27027 | micronutrient |
| CHEBI has role | CHEBI:50733 | nutraceutical |
| CHEBI has role | CHEBI:64416 | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor |
| CHEBI has role | CHEBI:78675 | fundamental metabolite |
| CHEBI has role | CHEBI:83056 | <em>Daphnia magna</em> metabolite |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.27 | acidic |
| pKa2 | 10.4 | acidic |
| pKa3 | 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 | 4.17 | CHEMBL |
| ID | Source |
|---|---|
| 4018678 | VUID |
| N0000146989 | NUI |
| D00022 | KEGG_DRUG |
| 4018678 | VANDF |
| C0041485 | UMLSCUI |
| CHEBI:17895 | CHEBI |
| TYR | PDB_CHEM_ID |
| CHEMBL925 | ChEMBL_ID |
| DB00135 | DRUGBANK_ID |
| D014443 | MESH_DESCRIPTOR_UI |
| 6057 | PUBCHEM_CID |
| 6174 | INN_ID |
| 42HK56048U | UNII |
| 10962 | RXNORM |
| 15487 | MMSL |
| 187423 | MMSL |
| 40047 | MMSL |
| NOCODE | MMSL |
| d07831 | MMSL |
| 003449 | NDDF |
| 27378009 | SNOMEDCT_US |
| 418246001 | SNOMEDCT_US |
| 4791 | IUPHAR_LIGAND_ID |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| TrophAmine | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0264-1933 | SOLUTION | 0.04 g | INTRAVENOUS | NDA | 23 sections |
| Plenamine | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0264-4500 | SOLUTION | 39 mg | INTRAVENOUS | ANDA | 20 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0180 | INJECTION | 32 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0184 | INJECTION | 32 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0188 | INJECTION | 32 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0194 | INJECTION | 32 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0198 | INJECTION | 24 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0202 | INJECTION | 32 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0206 | INJECTION | 32 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0210 | INJECTION | 32 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0214 | INJECTION | 32 mg | INTRAVENOUS | NDA | 20 sections |
| ProSol | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0338-0499 | INJECTION, SOLUTION | 50 mg | INTRAVENOUS | NDA | 21 sections |
| Clinisol | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0338-0502 | INJECTION, SOLUTION | 39 mg | INTRAVENOUS | ANDA | 18 sections |
| Travasol | HUMAN PRESCRIPTION DRUG LABEL | 15 | 0338-0644 | INJECTION | 40 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1089 | INJECTION | 17 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1091 | INJECTION | 17 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1099 | INJECTION | 20 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1101 | INJECTION | 20 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1113 | INJECTION | 17 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1115 | INJECTION | 17 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1123 | INJECTION | 20 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1125 | INJECTION | 20 mg | INTRAVENOUS | NDA | 20 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1130 | INJECTION, SOLUTION | 0.24 g | INTRAVENOUS | ANDA | 15 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1131 | INJECTION, SOLUTION | 0.14 g | INTRAVENOUS | ANDA | 15 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1133 | INJECTION | 17 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1134 | INJECTION | 17 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1137 | INJECTION | 20 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1138 | INJECTION | 20 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1142 | INJECTION | 11 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1144 | INJECTION | 17 mg | INTRAVENOUS | NDA | 20 sections |