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| Stem definition | Drug id | CAS RN |
|---|---|---|
| systemic antifungal agents, miconazole derivatives | 2675 | 65899-73-2 |
| Dose | Unit | Route |
|---|---|---|
| 0.30 | g | V |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.492 | Moderate | 0.78 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.030 | Moderate | 0.78 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 44.259 | 10^-6 cm/s | Moderate | 0.78 |
| dh-clint | Dog hepatocyte intrinsic clearance | 73.451 | uL/min/10^6 cells | Moderate | 0.78 |
| dppb | Dog plasma protein binding (% unbound) | 0.370 | % | Moderate | 0.78 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 1.170 | % | Moderate | 0.78 |
| herg | hERG pIC50 | 5.812 | pIC50 | Moderate | 0.78 |
| hh-clint | Human hepatocyte intrinsic clearance | 88.920 | uL/min/10^6 cells | Moderate | 0.78 |
| hlm-clint | Human liver microsomal intrinsic clearance | 234.423 | uL/min/mg protein | Moderate | 0.78 |
| hppb | Human plasma protein binding (% unbound) | 0.470 | % | Moderate | 0.78 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK | 42 | |||
| kinase-selectivity-class | AKT3,AXL,BRAF,EIF2AK3,GRK2,PDK4,PIK3CB | 7 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.607 | Moderate | 0.78 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 138.676 | Moderate | 0.78 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.440 | Moderate | 0.78 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.941 | Moderate | 0.78 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 1.850 | % | Moderate | 0.78 |
| rh-clint | Rat hepatocyte intrinsic clearance | 190.546 | uL/min/10^6 cells | Moderate | 0.78 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 6.900 | % | Moderate | 0.78 |
| rppb | Rat plasma protein binding (% unbound) | 0.390 | % | Moderate | 0.78 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 95.940 | uM | Moderate | 0.78 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Feb. 18, 1983 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | D01AC07 | DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Imidazole and triazole derivatives |
| ATC | G01AF08 | GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Imidazole derivatives |
| FDA CS | M0002083 | Azoles |
| FDA EPC | N0000175487 | Azole Antifungal |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000935 | Antifungal Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D006727 | Hormone Antagonists |
| MeSH PA | D058888 | 14-alpha Demethylase Inhibitors |
| MeSH PA | D065088 | Steroid Synthesis Inhibitors |
| MeSH PA | D065606 | Metabolic Side Effects of Drugs and Substances |
| MeSH PA | D065607 | Cytochrome P-450 Enzyme Inhibitors |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:77884 | EC 1.14.13.70 (sterol 14α-demethylase) inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Candidal vulvovaginitis | indication | 72605008 | DOID:2272 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.49 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase | Enzyme | Ki | 6.30 | CHEMBL | |||||
| 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase | Enzyme | INHIBITOR | Kd | 6.68 | IUPHAR | ||||
| Cysteine protease ATG4A | Enzyme | IC50 | 5.89 | CHEMBL | |||||
| Cysteine protease ATG4B | Enzyme | IC50 | 5.75 | CHEMBL | |||||
| Lanosterol 14-alpha demethylase | Enzyme | INHIBITOR | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| 4020459 | VUID |
| N0000148215 | NUI |
| D00890 | KEGG_DRUG |
| 4020459 | VANDF |
| C0076705 | UMLSCUI |
| CHEBI:9604 | CHEBI |
| FJQ | PDB_CHEM_ID |
| CHEMBL1200438 | ChEMBL_ID |
| DB01007 | DRUGBANK_ID |
| C020527 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5482 | PUBCHEM_CID |
| 13859 | IUPHAR_LIGAND_ID |
| 4572 | INN_ID |
| S57Y5X1117 | UNII |
| 38298 | RXNORM |
| 5586 | MMSL |
| 002926 | NDDF |
| 332967005 | SNOMEDCT_US |
| 395909003 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| good sense tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 0113-0426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| Tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 0363-0426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| VAGISTAT | HUMAN OTC DRUG LABEL | 1 | 11509-0426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| Up and up tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 11673-426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| signature care tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 21130-060 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| TIOCONAZOLE 1 | HUMAN OTC DRUG LABEL | 1 | 21130-781 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| Topcare Tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 36800-426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| Tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 37808-426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| Equaline Tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 41163-032 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 41250-426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| CareOne Tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 41520-426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| Equate tioconazole 1 day | HUMAN OTC DRUG LABEL | 1 | 49035-426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| dg health tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 55910-731 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 59779-718 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| TIOCONAZOLEOintment 6.5% | HUMAN OTC DRUG LABEL | 1 | 63094-0426 | OINTMENT | 65 mg | VAGINAL | ANDA | 12 sections |
| Tioconazole1 Day | HUMAN OTC DRUG LABEL | 1 | 63736-410 | OINTMENT | 300 mg | TOPICAL | ANDA | 16 sections |
| MONISTAT TIOCONAZOLE 1 | HUMAN OTC DRUG LABEL | 1 | 63736-413 | OINTMENT | 6.50 g | TOPICAL | ANDA | 15 sections |
| Leader Tioconazole 1 | HUMAN OTC DRUG LABEL | 1 | 70000-0357 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| foster and thrive tioconazole | HUMAN OTC DRUG LABEL | 1 | 70677-1224 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |
| basic care tioconazole | HUMAN OTC DRUG LABEL | 1 | 72288-426 | OINTMENT | 6.50 g | VAGINAL | ANDA | 16 sections |