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| Stem definition | Drug id | CAS RN |
|---|---|---|
| uridine derivatives used as antiviral agents and as antineoplastics | 958 | 3094-09-5 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
None
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 69.63 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 40 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.28 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 11 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.61 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 0.35 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP3K21,MAPK7,NTRK2,PDK1,PDK2,PRKDC,TEK | 18 | |||
| kinase-selectivity-class | GRK2,MAP2K6,MAP3K14,PDK1 | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1987 | YEAR INTRODUCED |
| 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 |
|---|---|---|---|---|---|---|
| Dermatitis acneiform | 87.62 | 79.40 | 16 | 344 | 6338 | 90621749 |
None
| 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 |
|---|---|---|---|---|---|---|
| Dermatitis acneiform | 150.20 | 85.36 | 29 | 510 | 12666 | 110576094 |
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000697 | Central Nervous System Stimulants |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D000964 | Antimetabolites, Antineoplastic |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D007155 | Immunologic Factors |
| MeSH PA | D007166 | Immunosuppressive Agents |
| MeSH PA | D009676 | Noxae |
| MeSH PA | D019167 | Appetite Stimulants |
| CHEBI has role | CHEBI:35221 | antimetabolite |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:50266 | prodrug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Primary malignant neoplasm of gastrointestinal tract | indication | 363745004 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.88 | acidic |
| pKa2 | 13.11 | acidic |
| pKa3 | 13.83 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Thymidylate synthase | Enzyme | WOMBAT-PK |
| ID | Source |
|---|---|
| D01309 | KEGG_DRUG |
| C0048808 | UMLSCUI |
| CHEBI:31521 | CHEBI |
| CHEMBL1130 | ChEMBL_ID |
| DB12947 | DRUGBANK_ID |
| C025034 | MESH_SUPPLEMENTAL_RECORD_UI |
| 18343 | PUBCHEM_CID |
| 4913 | INN_ID |
| V1JK16Y2JP | UNII |
| 010903 | NDDF |
| V1JK16Y2JP | INXIGHT DRUGS |
None