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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1188 | 2022-85-7 |
| Dose | Unit | Route |
|---|---|---|
| 10 | g | O |
| 10 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 15 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 99 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 1161.94 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 84 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.68 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 2 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) | 4.20 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,JAK1,MAP3K21,MAP4K1,MAPK7,NTRK1,NTRK2,PDK1,PDK2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,ULK1 | 29 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,CDK9,GRK2,GSK3A,MAP2K3,MAP3K14,MAP3K21,MAPK7,SIK2,STK33,TEK | 13 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Nov. 26, 1971 | FDA | VALEANT |
| 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 |
|---|---|---|---|---|---|---|
| Immune reconstitution inflammatory syndrome | 146.76 | 55.39 | 29 | 861 | 6990 | 90620567 |
| Drug ineffective | 145.76 | 55.39 | 113 | 777 | 1384185 | 89243372 |
| Cryptococcosis | 82.40 | 55.39 | 14 | 876 | 1457 | 90626100 |
| Meningitis cryptococcal | 59.65 | 55.39 | 11 | 879 | 1822 | 90625735 |
| 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 |
|---|---|---|---|---|---|---|
| Drug ineffective | 285.51 | 43.76 | 237 | 1871 | 629960 | 41989267 |
| Immune reconstitution inflammatory syndrome | 272.38 | 43.76 | 69 | 2039 | 10074 | 42609153 |
| Meningitis cryptococcal | 101.23 | 43.76 | 25 | 2083 | 3258 | 42615969 |
| Cryptococcosis | 81.84 | 43.76 | 21 | 2087 | 3190 | 42616037 |
| Disseminated cryptococcosis | 81.81 | 43.76 | 19 | 2089 | 1906 | 42617321 |
| Ischaemic stroke | 57.49 | 43.76 | 26 | 2082 | 22207 | 42597020 |
| Intracranial pressure increased | 56.36 | 43.76 | 17 | 2091 | 4657 | 42614570 |
| Cerebral cyst | 55.01 | 43.76 | 10 | 2098 | 295 | 42618932 |
| Cerebral ventricle collapse | 48.79 | 43.76 | 8 | 2100 | 126 | 42619101 |
| 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 |
|---|---|---|---|---|---|---|
| Drug ineffective | 428.92 | 39.15 | 343 | 2769 | 1520197 | 109065990 |
| Immune reconstitution inflammatory syndrome | 424.76 | 39.15 | 97 | 3015 | 16129 | 110570058 |
| Cryptococcosis | 161.09 | 39.15 | 35 | 3077 | 4596 | 110581591 |
| Meningitis cryptococcal | 149.02 | 39.15 | 33 | 3079 | 4729 | 110581458 |
| Disseminated cryptococcosis | 114.68 | 39.15 | 24 | 3088 | 2633 | 110583554 |
| Drug ineffective for unapproved indication | 68.17 | 39.15 | 40 | 3072 | 102798 | 110483389 |
| Ischaemic stroke | 65.61 | 39.15 | 29 | 3083 | 41234 | 110544953 |
| Acute kidney injury | 64.55 | 39.15 | 84 | 3028 | 635346 | 109950841 |
| Renal impairment | 61.13 | 39.15 | 47 | 3065 | 188398 | 110397789 |
| Intracranial pressure increased | 60.40 | 39.15 | 19 | 3093 | 10516 | 110575671 |
| Renal failure | 57.60 | 39.15 | 49 | 3063 | 226525 | 110359662 |
| Cerebral cyst | 55.81 | 39.15 | 10 | 3102 | 484 | 110585703 |
| Osteomyelitis fungal | 50.64 | 39.15 | 9 | 3103 | 416 | 110585771 |
| Cerebral ventricle collapse | 50.63 | 39.15 | 8 | 3104 | 179 | 110586008 |
| Muscle abscess | 44.94 | 39.15 | 10 | 3102 | 1459 | 110584728 |
| Liver transplant failure | 44.46 | 39.15 | 7 | 3105 | 153 | 110586034 |
| Central nervous system lesion | 42.06 | 39.15 | 16 | 3096 | 15537 | 110570650 |
| Cerebral infarction | 41.97 | 39.15 | 23 | 3089 | 51815 | 110534372 |
| Brain oedema | 40.41 | 39.15 | 19 | 3093 | 31079 | 110555108 |
| Drug resistance | 40.16 | 39.15 | 23 | 3089 | 56351 | 110529836 |
| Pneumonia cryptococcal | 39.49 | 39.15 | 10 | 3102 | 2532 | 110583655 |
None
| Source | Code | Description |
|---|---|---|
| ATC | D01AE21 | DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Other antifungals for topical use |
| ATC | J02AX01 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOTICS FOR SYSTEMIC USE ANTIMYCOTICS FOR SYSTEMIC USE Other antimycotics for systemic use |
| FDA EXT | N0000175459 | Nucleoside Analog |
| FDA EPC | N0000175467 | Nucleoside Analog Antifungal |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000935 | Antifungal Agents |
| MeSH PA | D000963 | Antimetabolites |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:50266 | prodrug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Systemic Cryptococcosis Treatment Adjunct | indication | ||
| Synergy for Candida Infection | indication | ||
| Systemic Candidiasis Treatment Adjunct | indication | ||
| Candidal Urinary Tract Infection | indication | ||
| Synergy for Cryptococcal Infection | indication | ||
| Chromoblastomycosis | off-label use | 187079000 | |
| Hypokalemia | contraindication | 43339004 | |
| Leukopenia | contraindication | 84828003 | DOID:615 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Radiation oncology AND/OR radiotherapy | contraindication | 108290001 | |
| Liver function tests abnormal | contraindication | 166603001 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Aplastic anemia due to drugs | contraindication | 267527002 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Bone marrow depression | contraindication | 307762000 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Granulocytopenic disorder | contraindication | 417672002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.56 | acidic |
| pKa2 | 2.7 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | GPCR | IC50 | 5.10 | WOMBAT-PK | |||||
| Thymidylate synthase | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
| Thymidylate synthase | Enzyme | INHIBITOR | DRUGBANK | CHEMBL | |||||
| ATP-dependent molecular chaperone HSP82 | Cytosolic other | EC50 | 6.15 | WOMBAT-PK |
| ID | Source |
|---|---|
| 4017792 | VUID |
| N0000146153 | NUI |
| D00323 | KEGG_DRUG |
| 4017792 | VANDF |
| C0016278 | UMLSCUI |
| CHEBI:5100 | CHEBI |
| 1LD | PDB_CHEM_ID |
| CHEMBL1463 | ChEMBL_ID |
| 3366 | PUBCHEM_CID |
| DB01099 | DRUGBANK_ID |
| D005437 | MESH_DESCRIPTOR_UI |
| 2729 | INN_ID |
| D83282DT06 | UNII |
| 227633 | RXNORM |
| 186215 | MMSL |
| 4733 | MMSL |
| 525 | MMSL |
| d00038 | MMSL |
| 002898 | NDDF |
| 28506006 | SNOMEDCT_US |
| 387155003 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| ANCOBON | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0187-3554 | CAPSULE | 250 mg | ORAL | NDA | 23 sections |
| ANCOBON | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0187-3555 | CAPSULE | 500 mg | ORAL | NDA | 23 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0904-6834 | CAPSULE | 250 mg | ORAL | ANDA | 19 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0904-6835 | CAPSULE | 500 mg | ORAL | ANDA | 19 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 23155-860 | CAPSULE | 250 mg | ORAL | ANDA | 13 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 23155-860 | CAPSULE | 250 mg | ORAL | ANDA | 13 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 23155-861 | CAPSULE | 500 mg | ORAL | ANDA | 13 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 23155-861 | CAPSULE | 500 mg | ORAL | ANDA | 13 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 40032-770 | CAPSULE | 500 mg | ORAL | ANDA | 18 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 40032-771 | CAPSULE | 250 mg | ORAL | ANDA | 18 sections |
| Flucytosine | Human Prescription Drug Label | 1 | 42385-983 | CAPSULE | 250 mg | ORAL | ANDA | 12 sections |
| Flucytosine | Human Prescription Drug Label | 1 | 42385-984 | CAPSULE | 500 mg | ORAL | ANDA | 12 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 42794-009 | CAPSULE | 250 mg | ORAL | ANDA | 14 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 42794-010 | CAPSULE | 500 mg | ORAL | ANDA | 14 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 43386-770 | CAPSULE | 500 mg | ORAL | ANDA | 18 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 43386-771 | CAPSULE | 250 mg | ORAL | ANDA | 18 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 50268-331 | CAPSULE | 250 mg | ORAL | ANDA | 18 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 50268-332 | CAPSULE | 500 mg | ORAL | ANDA | 18 sections |
| FLUCYTOSINE | Human Prescription Drug Label | 1 | 59651-331 | CAPSULE | 250 mg | ORAL | ANDA | 21 sections |
| FLUCYTOSINE | Human Prescription Drug Label | 1 | 59651-332 | CAPSULE | 500 mg | ORAL | ANDA | 21 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 60687-599 | CAPSULE | 250 mg | ORAL | ANDA | 21 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 60687-610 | CAPSULE | 500 mg | ORAL | ANDA | 21 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 64380-897 | CAPSULE | 250 mg | ORAL | ANDA | 13 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 64380-898 | CAPSULE | 500 mg | ORAL | ANDA | 13 sections |
| Flucytosine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 68151-0084 | CAPSULE | 250 mg | ORAL | ANDA | 14 sections |