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| Stem definition | Drug id | CAS RN |
| uridine derivatives used as antiviral agents and as antineoplastics |
958 |
3094-09-5 |
Description:
| Molecule | Description |
|---|
Molfile
Inchi
Smiles
Synonyms:
-
5-DFUR
-
doxifluridine
-
flutron
-
furtulon
|
- Molecular weight: 246.19
- Formula: C9H11FN2O5
- CLOGP: -1.19
- LIPINSKI: 0
- HAC: 7
- HDO: 3
- TPSA: 99.10
- ALOGS: -0.81
- ROTB: 1
|
Drug dosage:
None
ADMET properties:
| 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
|
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| 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 |
|
|
|
Approvals:
FDA Adverse Event Reporting System (Female)
| 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 |
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
| 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 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| 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 |
|
๐ถ Veterinary Drug Use
None
๐ถ Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
| pKa1 |
7.88 |
acidic |
| pKa2 |
13.11 |
acidic |
| pKa3 |
13.83 |
acidic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
External reference:
Pharmaceutical products:
None