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| Stem definition | Drug id | CAS RN |
|---|---|---|
| immunomodulators, both stimulant/suppressive and stimulant | 2164 | 121808-62-6 |
| Molecule | Description |
|---|---|
|
Synonyms:
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| Dose | Unit | Route |
|---|---|---|
| 1.60 | g | O |
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.31 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.16 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.96 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 3.80 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 10 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 45 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1 | 37 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,EIF2AK3,EPHB4,GRK2,MAP2K6,MAP3K14,MAPK7,PIK3CD,PIK3CG,PRKDC,STK33,TEK,TGFBR1 | 16 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | L03AX05 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS IMMUNOSTIMULANTS IMMUNOSTIMULANTS Other immunostimulants |
| MeSH PA | D000276 | Adjuvants, Immunologic |
| MeSH PA | D007155 | Immunologic Factors |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.87 | acidic |
| pKa2 | 12.6 | acidic |
None
None
None
| ID | Source |
|---|---|
| D07261 | KEGG_DRUG |
| C0081002 | UMLSCUI |
| CHEBI:94618 | CHEBI |
| CHEMBL1488165 | ChEMBL_ID |
| DB11364 | DRUGBANK_ID |
| C064893 | MESH_SUPPLEMENTAL_RECORD_UI |
| 65944 | PUBCHEM_CID |
| 6491 | INN_ID |
| 785363R681 | UNII |
| 40450 | RXNORM |
| 007584 | NDDF |
| 713433002 | SNOMEDCT_US |
| 785363R681 | INXIGHT DRUGS |
None