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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1549 | 74-79-3 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 70 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.32 L/kg | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.208 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.129 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.859 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.710 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 93.020 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 60.880 | % | High | 1 |
| herg | hERG pIC50 | 5.502 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.183 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 8.054 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 89.160 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHUK,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K1,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 62 | |||
| kinase-selectivity-class | AXL,CAMK2D,CDK9,DDR1,EIF2AK3,EPHB4,GRK2,MAP2K6,MAP3K14,MAP3K21,MAPK7,SIK2,STK33,TEK,TGFBR1 | 15 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.910 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 2.897 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 93.560 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.168 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 88.090 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.194 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 85.450 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 95.790 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 583.445 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| June 23, 2021 | PMDA | FUJIFILM TOYAMA CHEMICAL Co., Ltd. | |
| Feb. 28, 1973 | FDA | PHARMACIA AND UPJOHN | |
| July 25, 2019 | EMA | Advanced Accelerator Applications |
| 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 |
|---|---|---|---|---|---|---|
| Hyperammonaemia | 74.66 | 24.66 | 17 | 1080 | 6458 | 90620892 |
| Foetal growth restriction | 63.40 | 24.66 | 16 | 1081 | 9364 | 90617986 |
| Hyperammonaemic crisis | 57.72 | 24.66 | 7 | 1090 | 49 | 90627301 |
| Infantile apnoea | 41.98 | 24.66 | 8 | 1089 | 1279 | 90626071 |
| Selective eating disorder | 38.25 | 24.66 | 8 | 1089 | 2045 | 90625305 |
| Cerebral haemorrhage | 32.18 | 24.66 | 13 | 1084 | 34509 | 90592841 |
| Ammonia increased | 31.19 | 24.66 | 8 | 1089 | 4978 | 90622372 |
| Right ventricular failure | 27.89 | 24.66 | 10 | 1087 | 19195 | 90608155 |
| Device related sepsis | 26.63 | 24.66 | 7 | 1090 | 4786 | 90622564 |
| Blood osmolarity decreased | 25.35 | 24.66 | 5 | 1092 | 954 | 90626396 |
| 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 |
|---|---|---|---|---|---|---|
| Haematuria | 80.06 | 24.77 | 37 | 1186 | 57762 | 42562350 |
| Hyperammonaemic crisis | 76.23 | 24.77 | 10 | 1213 | 53 | 42620059 |
| Blindness cortical | 55.64 | 24.77 | 10 | 1213 | 484 | 42619628 |
| 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 |
|---|---|---|---|---|---|---|
| Hyperammonaemic crisis | 109.11 | 21.12 | 14 | 1919 | 108 | 110587258 |
| Haematuria | 78.16 | 21.12 | 35 | 1898 | 82970 | 110504396 |
| Hyperammonaemia | 68.80 | 21.12 | 20 | 1913 | 13712 | 110573654 |
| Blindness cortical | 52.27 | 21.12 | 10 | 1923 | 1125 | 110586241 |
| Ammonia increased | 41.24 | 21.12 | 12 | 1921 | 8238 | 110579128 |
| Blood osmolarity decreased | 26.72 | 21.12 | 6 | 1927 | 1472 | 110585894 |
| Status epilepticus | 25.54 | 21.12 | 12 | 1921 | 31559 | 110555807 |
| Drug ineffective | 22.91 | 21.12 | 68 | 1865 | 1520472 | 109066894 |
| Right ventricular failure | 21.41 | 21.12 | 10 | 1923 | 25944 | 110561422 |
| Ureaplasma infection | 21.14 | 21.12 | 5 | 1928 | 1541 | 110585825 |
None
| Source | Code | Description |
|---|---|---|
| ATC | B05XB01 | BLOOD AND BLOOD FORMING ORGANS BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS I.V. SOLUTION ADDITIVES Amino acids |
| ATC | V03AF11 | VARIOUS ALL OTHER THERAPEUTIC PRODUCTS ALL OTHER THERAPEUTIC PRODUCTS Detoxifying agents for antineoplastic treatment |
| CHEBI has role | CHEBI:27027 | micronutrient |
| CHEBI has role | CHEBI:50733 | nutraceutical |
| CHEBI has role | CHEBI:59163 | biomarker |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
| CHEBI has role | CHEBI:78675 | fundamental metabolite |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:38068 | antimalarial |
| CHEBI has role | CHEBI:75835 | anti-anaemic agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Renal radiation exposure from Lutetium (177Lu) oxodotreotide | indication | 218190002 | |
| Diagnostic Test for Growth Hormone Secretion | indication | ||
| Renal tubular acidosis | contraindication | 1776003 | DOID:14219 |
| Classical phenylketonuria | contraindication | 7573000 | |
| Poisoning by digitalis glycoside | contraindication | 12876009 | |
| Hyperkalemia | contraindication | 14140009 | |
| Constipation | contraindication | 14760008 | DOID:2089 |
| 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 |
| Metabolic acidosis | contraindication | 59455009 | |
| 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 | |
| Hb SS disease | contraindication | 127040003 | DOID:10923 |
| Osteolysis | contraindication | 203522001 | |
| Myocardial infarction in recovery phase | contraindication | 418044006 | |
| Allergic Reactions | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.97 | acidic |
| pKa2 | 11.72 | Basic |
| pKa3 | 8.95 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | Enzyme | Kd | 5.15 | CHEMBL | |||||
| G-protein coupled receptor family C group 6 member A | GPCR | AGONIST | EC50 | 4.40 | IUPHAR |
| ID | Source |
|---|---|
| 4018668 | VUID |
| N0000146979 | NUI |
| D02982 | KEGG_DRUG |
| 1119-34-2 | SECONDARY_CAS_RN |
| 4018668 | VANDF |
| 4019067 | VANDF |
| C0003765 | UMLSCUI |
| CHEBI:29016 | CHEBI |
| ARG | PDB_CHEM_ID |
| CHEMBL1485 | ChEMBL_ID |
| CHEMBL1200381 | ChEMBL_ID |
| D001120 | MESH_DESCRIPTOR_UI |
| DB00125 | DRUGBANK_ID |
| 1711 | INN_ID |
| 94ZLA3W45F | UNII |
| 6322 | PUBCHEM_CID |
| DB17289 | DRUGBANK_ID |
| 1091 | RXNORM |
| 14778 | MMSL |
| 206 | MMSL |
| 399898 | MMSL |
| 40033 | MMSL |
| 4219 | MMSL |
| 7609 | MMSL |
| 7610 | MMSL |
| d00578 | MMSL |
| 000926 | NDDF |
| 005095 | NDDF |
| 52625008 | SNOMEDCT_US |
| 63676001 | SNOMEDCT_US |
| 721 | IUPHAR_LIGAND_ID |
| 94ZLA3W45F | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| R-Gene | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0009-0436 | INJECTION, SOLUTION | 10 g | INTRAVENOUS | NDA | 17 sections |
| TrophAmine | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0264-1933 | SOLUTION | 1.20 g | INTRAVENOUS | NDA | 23 sections |
| Plenamine | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0264-4500 | SOLUTION | 1.47 g | INTRAVENOUS | ANDA | 20 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0180 | INJECTION | 920 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0184 | INJECTION | 920 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0188 | INJECTION | 920 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0194 | INJECTION | 920 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-0198 | INJECTION | 690 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0202 | INJECTION | 920 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0206 | INJECTION | 920 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0210 | INJECTION | 920 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 20 | 0338-0214 | INJECTION | 920 mg | INTRAVENOUS | NDA | 20 sections |
| ProSol | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0338-0499 | INJECTION, SOLUTION | 1.96 g | INTRAVENOUS | NDA | 21 sections |
| Clinisol | HUMAN PRESCRIPTION DRUG LABEL | 17 | 0338-0502 | INJECTION, SOLUTION | 1.47 g | INTRAVENOUS | ANDA | 18 sections |
| Travasol | HUMAN PRESCRIPTION DRUG LABEL | 15 | 0338-0644 | INJECTION | 1.15 g | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1089 | INJECTION | 489 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1091 | INJECTION | 489 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1099 | INJECTION | 575 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1101 | INJECTION | 575 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1113 | INJECTION | 489 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1115 | INJECTION | 489 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1123 | INJECTION | 575 mg | INTRAVENOUS | NDA | 20 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1125 | INJECTION | 575 mg | INTRAVENOUS | NDA | 20 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1130 | INJECTION, SOLUTION | 1.20 g | INTRAVENOUS | ANDA | 15 sections |
| Premasol - sulfite-free (Amino Acid) | HUMAN PRESCRIPTION DRUG LABEL | 19 | 0338-1131 | INJECTION, SOLUTION | 0.73 g | INTRAVENOUS | ANDA | 15 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1133 | INJECTION | 489 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1134 | INJECTION | 489 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1137 | INJECTION | 575 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX | HUMAN PRESCRIPTION DRUG LABEL | 16 | 0338-1138 | INJECTION | 575 mg | INTRAVENOUS | NDA | 21 sections |
| CLINIMIX E | HUMAN PRESCRIPTION DRUG LABEL | 21 | 0338-1142 | INJECTION | 316 mg | INTRAVENOUS | NDA | 20 sections |