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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antiprotozoals and radiosensitizers, metronidazole derivatives | 1997 | 16773-42-5 |
| Dose | Unit | Route |
|---|---|---|
| 1 | g | P |
| 1.50 | g | O |
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 1.16 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.08 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.88 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 12 hours | Lombardo F, Berellini G, Obach RS |
| BA (Bioavailability) | 98 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.723 | Moderate | 0.72 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.268 | Moderate | 0.72 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 49.204 | 10^-6 cm/s | Moderate | 0.72 |
| dh-clint | Dog hepatocyte intrinsic clearance | 3.266 | uL/min/10^6 cells | Moderate | 0.72 |
| dppb | Dog plasma protein binding (% unbound) | 78.910 | % | Moderate | 0.72 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 83.240 | % | Moderate | 0.72 |
| herg | hERG pIC50 | 4.009 | pIC50 | Moderate | 0.72 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.563 | uL/min/10^6 cells | Moderate | 0.72 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.548 | uL/min/mg protein | Moderate | 0.72 |
| hppb | Human plasma protein binding (% unbound) | 80.800 | % | Moderate | 0.72 |
| kinase-safety-class | ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKDC,STK33,SYK,TEK,TTK,ZAP70 | 39 | |||
| kinase-selectivity-class | AXL,CDK9,DYRK1B,GRK2,MAP2K6,MAPK7,TEK,TTK | 8 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.495 | Moderate | 0.72 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 12.303 | Moderate | 0.72 | |
| mppb | Mouse plasma protein binding (% unbound) | 80.540 | Moderate | 0.72 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 6.194 | Moderate | 0.72 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 80.650 | % | Moderate | 0.72 |
| rh-clint | Rat hepatocyte intrinsic clearance | 7.063 | uL/min/10^6 cells | Moderate | 0.72 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 95.630 | % | Moderate | 0.72 |
| rppb | Rat plasma protein binding (% unbound) | 75.040 | % | Moderate | 0.72 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 912.011 | uM | Moderate | 0.72 |
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| Source | Code | Description |
|---|---|---|
| ATC | G01AF06 | GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Imidazole derivatives |
| ATC | J01RA05 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE COMBINATIONS OF ANTIBACTERIALS Combinations of antibacterials |
| ATC | J01RA09 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE COMBINATIONS OF ANTIBACTERIALS Combinations of antibacterials |
| ATC | J01RA12 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE COMBINATIONS OF ANTIBACTERIALS Combinations of antibacterials |
| ATC | J01RA15 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE COMBINATIONS OF ANTIBACTERIALS Combinations of antibacterials |
| ATC | J01XD03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER ANTIBACTERIALS Imidazole derivatives |
| ATC | P01AB03 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES Nitroimidazole derivatives |
| MeSH PA | D000563 | Amebicides |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000977 | Antiparasitic Agents |
| MeSH PA | D000981 | Antiprotozoal Agents |
| MeSH PA | D000994 | Antitrichomonal Agents |
| MeSH PA | D011838 | Radiation-Sensitizing Agents |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35820 | antiprotozoal drug |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:50685 | antitrichomonal drug |
| CHEBI has role | CHEBI:53000 | epitope |
| CHEBI has role | CHEBI:171664 | antiamoebic agent |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.97 | acidic |
| pKa2 | 2.4 | Basic |
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| ID | Source |
|---|---|
| N0000167081 | NUI |
| D05274 | KEGG_DRUG |
| C0029274 | UMLSCUI |
| CHEBI:75176 | CHEBI |
| CHEMBL1449676 | ChEMBL_ID |
| DB13026 | DRUGBANK_ID |
| D009950 | MESH_DESCRIPTOR_UI |
| 28061 | PUBCHEM_CID |
| 3319 | INN_ID |
| 62XCK0G93T | UNII |
| 7701 | RXNORM |
| 005696 | NDDF |
| 442845007 | SNOMEDCT_US |
| 442924004 | SNOMEDCT_US |
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