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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1789 | 1949-45-7 |
None
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 14.64 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 0.17 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 2.70 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 1 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.30 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,FLT4,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 79 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AURKC,AXL,BRAF,CAMK2A,CAMK2B,CAMK2D,CDK16,CDK2,CDK4,CDK9,CLK2,CLK4,DDR1,DYRK1A,DYRK1B,DYRK3,EIF2AK3,EPHB4,ERBB2,FLT3,FLT4,GRK2,GSK3A,GSK3B,HIPK2,IRAK1,JAK1,JAK2,MAP2K3,MAP2K4,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK12,MAPK7,MARK4,MELK,MET,MTOR,PDK4,PIK3CB,PIK3CD,PIK3CG,PIM3,PRKAA1,PRKCZ,PRKDC,SGK1,SIK2,SIK3,STK10,STK33,SYK,TEK,TGFBR1,TNIK,TTK,UHMK1,ULK1,ULK2,ZAP70 | 70 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Nov. 17, 1973 | FDA | GE HEALTHCARE |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | V08AA02 | VARIOUS CONTRAST MEDIA X-RAY CONTRAST MEDIA, IODINATED Watersoluble, nephrotropic, high osmolar X-ray contrast media |
| FDA MoA | N0000010258 | X-Ray Contrast Activity |
| MeSH PA | D003287 | Contrast Media |
| FDA EPC | N0000180185 | Radiographic Contrast Agent |
| CHEBI has role | CHEBI:37338 | radioopaque medium |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.34 | acidic |
None
None
None
| ID | Source |
|---|---|
| C4082771 | UMLSCUI |
| CHEBI:34847 | CHEBI |
| CHEMBL1736 | ChEMBL_ID |
| D008794 | MESH_DESCRIPTOR_UI |
| DB09346 | DRUGBANK_ID |
| CM1N99QR1M | UNII |
| 2528 | PUBCHEM_CID |
| 000670 | NDDF |
| 000671 | NDDF |
| 354094002 | SNOMEDCT_US |
| 395792006 | SNOMEDCT_US |
| CHEMBL2068723 | ChEMBL_ID |
| CHEMBL1200353 | ChEMBL_ID |
| CHEMBL2364738 | ChEMBL_ID |
| CHEMBL1200423 | ChEMBL_ID |
| 20968-37-0 | SECONDARY_CAS_RN |
| 7225-61-8 | SECONDARY_CAS_RN |
| 1378 | INN_ID |
None