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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 5-nitrofuran derivatives | 1928 | 965-52-6 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 0.60 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.514 | Moderate | 0.66 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.393 | Moderate | 0.66 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 29.512 | 10^-6 cm/s | Moderate | 0.66 |
| dh-clint | Dog hepatocyte intrinsic clearance | 33.189 | uL/min/10^6 cells | Moderate | 0.66 |
| dppb | Dog plasma protein binding (% unbound) | 18.850 | % | Moderate | 0.66 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 28.100 | % | Moderate | 0.66 |
| herg | hERG pIC50 | 4.258 | pIC50 | Moderate | 0.66 |
| hh-clint | Human hepatocyte intrinsic clearance | 62.230 | uL/min/10^6 cells | Moderate | 0.66 |
| hlm-clint | Human liver microsomal intrinsic clearance | 10.423 | uL/min/mg protein | Moderate | 0.66 |
| hppb | Human plasma protein binding (% unbound) | 10.780 | % | Moderate | 0.66 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 66 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AURKA,AURKB,AXL,BRAF,CAMK2D,CDK4,CDK9,DDR1,DYRK1B,EPHB4,GRK2,GSK3A,GSK3B,IRAK1,MAP2K3,MAP2K6,MAP3K14,MAP3K21,MAPK1,MAPK12,MAPK7,MARK4,MET,PDPK1,PRKDC,SIK2,STK33,SYK,TEK,TTK,ULK1 | 33 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 6.792 | Moderate | 0.66 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 202.768 | Moderate | 0.66 | |
| mppb | Mouse plasma protein binding (% unbound) | 20.940 | Moderate | 0.66 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 3.206 | Moderate | 0.66 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 22.990 | % | Moderate | 0.66 |
| rh-clint | Rat hepatocyte intrinsic clearance | 149.279 | uL/min/10^6 cells | Moderate | 0.66 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 88.260 | % | Moderate | 0.66 |
| rppb | Rat plasma protein binding (% unbound) | 11.180 | % | Moderate | 0.66 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 578.096 | uM | Moderate | 0.66 |
None
| 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 |
|---|---|---|---|---|---|---|
| Trimethylaminuria | 178.16 | 91.20 | 20 | 460 | 172 | 90627795 |
| Pseudomembranous colitis | 125.07 | 91.20 | 21 | 459 | 3847 | 90624120 |
| Megacolon | 121.81 | 91.20 | 19 | 461 | 2195 | 90625772 |
| Intestinal perforation | 92.61 | 91.20 | 20 | 460 | 13861 | 90614106 |
None
| 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 |
|---|---|---|---|---|---|---|
| Trimethylaminuria | 178.19 | 62.32 | 21 | 810 | 194 | 110588274 |
| Pseudomembranous colitis | 113.14 | 62.32 | 22 | 809 | 6369 | 110582099 |
| Megacolon | 108.81 | 62.32 | 20 | 811 | 4285 | 110584183 |
| Dysbiosis | 87.78 | 62.32 | 15 | 816 | 2117 | 110586351 |
| Intestinal perforation | 82.19 | 62.32 | 21 | 810 | 20923 | 110567545 |
| Peritonitis | 77.48 | 62.32 | 22 | 809 | 32585 | 110555883 |
| Clostridium difficile infection | 75.50 | 62.32 | 24 | 807 | 52105 | 110536363 |
| Inhibitory drug interaction | 63.28 | 62.32 | 13 | 818 | 4934 | 110583534 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A07AX03 | ALIMENTARY TRACT AND METABOLISM ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS INTESTINAL ANTIINFECTIVES Other intestinal antiinfectives |
| MeSH PA | D000890 | Anti-Infective Agents |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.75 | acidic |
| pKa2 | 10.28 | acidic |
| pKa3 | 2.04 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 3 | Transcription factor | EC50 | 5.52 | CHEMBL |
| ID | Source |
|---|---|
| D07111 | KEGG_DRUG |
| C0068742 | UMLSCUI |
| CHEBI:135136 | CHEBI |
| CHEMBL244888 | ChEMBL_ID |
| DB13855 | DRUGBANK_ID |
| C013150 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5337997 | PUBCHEM_CID |
| 12358 | IUPHAR_LIGAND_ID |
| 1578 | INN_ID |
| PM5LI0P38J | UNII |
| 31782 | RXNORM |
| 005828 | NDDF |
| 703471002 | SNOMEDCT_US |
| 703472009 | SNOMEDCT_US |
| PM5LI0P38J | INXIGHT DRUGS |
None