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| Stem definition | Drug id | CAS RN |
|---|---|---|
| iodine-containing contrast media | 1465 | 96-83-3 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.02 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 33 % | Benet LZ, Broccatelli F, Oprea TI |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ZAP70 | 70 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AURKC,AXL,BRAF,CAMK2A,CAMK2B,CAMK2D,CDK1,CDK16,CDK2,CDK3,CDK4,CDK6,CDK7,CDK9,CLK2,CLK4,DDR1,DYRK1A,DYRK1B,DYRK3,EIF2AK3,EPHB4,ERBB2,FGFR1,FLT4,GRK2,GSK3A,GSK3B,HIPK2,INSR,IRAK1,IRAK3,JAK1,JAK2,KIT,MAP2K1,MAP2K3,MAP2K4,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAP4K5,MAPK1,MAPK12,MAPK7,MARK1,MARK2,MARK4,MET,PDK1,PIK3CB,PIK3CD,PIK3CG,PIM3,PRKAA1,PRKAA2,PRKDC,PTK2,SGK1,SIK2,SIK3,STK10,STK17A,STK33,STK4,SYK,TEK,TGFBR1,TNIK,TTK,TYRO3,UHMK1,ULK1,ULK2,ZAP70 | 84 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 16, 1951 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | V08AC06 | VARIOUS CONTRAST MEDIA X-RAY CONTRAST MEDIA, IODINATED Watersoluble, hepatotropic X-ray contrast media |
| MeSH PA | D003287 | Contrast Media |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Diagnostic aid | indication | 2949005 | |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Hb SS disease | contraindication | 127040003 | DOID:10923 |
| Asthma | contraindication | 195967001 | DOID:2841 |
| Pregnancy, function | contraindication | 289908002 | |
| Pheochromocytoma | contraindication | 302835009 | |
| Hypertensive Emergencies | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.84 | acidic |
| pKa2 | 2.32 | Basic |
None
None
None
| ID | Source |
|---|---|
| 4018259 | VUID |
| N0000146589 | NUI |
| D01014 | KEGG_DRUG |
| 4018259 | VANDF |
| C0022028 | UMLSCUI |
| CHEBI:5951 | CHEBI |
| CHEMBL867 | ChEMBL_ID |
| D007480 | MESH_DESCRIPTOR_UI |
| DB08946 | DRUGBANK_ID |
| 3 | INN_ID |
| FE9794P71J | UNII |
| 3735 | PUBCHEM_CID |
| 5967 | RXNORM |
| 4906 | MMSL |
| d01438 | MMSL |
| 001220 | NDDF |
| 412227008 | SNOMEDCT_US |
| 76155001 | SNOMEDCT_US |
None