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| Stem definition | Drug id | CAS RN |
|---|---|---|
| systemic antifungal agents, miconazole derivatives | 3177 | 35554-44-0 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.519 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.239 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 48.417 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 21.528 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 1.560 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 4.300 | % | High | 1 |
| herg | hERG pIC50 | 5.634 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 14.689 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 35.563 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 1.940 | % | High | 1 |
| kinase-safety-class | ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK3,MAP3K7,MAPK7,MAPK9,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PRKDC,SIK2,STK33,SYK,TEK | 32 | |||
| kinase-selectivity-class | AXL,BRAF,GRK2,PDK4 | 4 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.610 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 79.983 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 1.830 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.213 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 3.780 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 52.240 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 21.440 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 1.680 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 517.607 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D005659 | Fungicides, Industrial |
| MeSH PA | D010575 | Pesticides |
| CHEBI has role | CHEBI:77884 | EC 1.14.13.70 (sterol 14α-demethylase) inhibitor |
| CHEBI has role | CHEBI:86328 | antifungal agrochemical |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.49 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | Enzyme | IC50 | 4.64 | CHEMBL |
| ID | Source |
|---|---|
| D03997 | KEGG_DRUG |
| C0063371 | UMLSCUI |
| CHEBI:81927 | CHEBI |
| CHEMBL356918 | ChEMBL_ID |
| C017435 | MESH_SUPPLEMENTAL_RECORD_UI |
| 37175 | PUBCHEM_CID |
| 4921 | INN_ID |
| 6K0NOF3XQ6 | UNII |
| 1442172 | RXNORM |
| 6K0NOF3XQ6 | INXIGHT DRUGS |
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