Explore drug information in your own words.
Type a question in the search bar above to get started. Each question is answered independently.
Select a question to fill the search bar, then submit it or edit it first.
AI can make mistakes. Verify answers against the original sources before relying on them.
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 5-nitrofuran derivatives | 4869 | 1672-88-4 |
| Dose | Unit | Route |
|---|---|---|
| 0.30 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.231 | Moderate | 0.74 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.924 | Moderate | 0.74 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 35.892 | 10^-6 cm/s | Moderate | 0.74 |
| dh-clint | Dog hepatocyte intrinsic clearance | 10.233 | uL/min/10^6 cells | Moderate | 0.74 |
| dppb | Dog plasma protein binding (% unbound) | 43.080 | % | Moderate | 0.74 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 23.520 | % | Moderate | 0.74 |
| herg | hERG pIC50 | 4.205 | pIC50 | Moderate | 0.74 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.393 | uL/min/10^6 cells | Moderate | 0.74 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.148 | uL/min/mg protein | Moderate | 0.74 |
| hppb | Human plasma protein binding (% unbound) | 33.180 | % | Moderate | 0.74 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 62 | |||
| kinase-selectivity-class | AXL,BMX,CAMK2D,CDK4,CDK9,DDR1,DYRK1B,GRK2,GSK3A,GSK3B,HIPK2,IRAK1,JAK2,MAP2K3,MAP2K6,MAP3K14,MAPK1,MAPK7,PIM3,PRKDC,SIK2,STK33,SYK,TEK,TTK,UHMK1 | 26 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 5.585 | Moderate | 0.74 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 5.445 | Moderate | 0.74 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 5.420 | Moderate | 0.74 | |
| mppb | Mouse plasma protein binding (% unbound) | 52.990 | Moderate | 0.74 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.957 | Moderate | 0.74 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 35.410 | % | Moderate | 0.74 |
| rat-kpuu-brain | Rat brain Kpuu | 0.091 | % | Moderate | 0.74 |
| rh-clint | Rat hepatocyte intrinsic clearance | 4.909 | uL/min/10^6 cells | Moderate | 0.74 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 93.750 | % | Moderate | 0.74 |
| rppb | Rat plasma protein binding (% unbound) | 28.470 | % | Moderate | 0.74 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 812.831 | uM | Moderate | 0.74 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01XE03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER ANTIBACTERIALS Nitrofuran derivatives |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000892 | Anti-Infective Agents, Urinary |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Urinary tract infectious disease | indication | 68566005 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.06 | acidic |
| pKa2 | 0.0 | Basic |
None
None
None
| ID | Source |
|---|---|
| D07998 | KEGG_DRUG |
| C0016848 | UMLSCUI |
| CHEBI:131714 | CHEBI |
| CHEMBL3707254 | ChEMBL_ID |
| 6870646 | PUBCHEM_CID |
| DB13475 | DRUGBANK_ID |
| D005661 | MESH_DESCRIPTOR_UI |
| C032005 | MESH_SUPPLEMENTAL_RECORD_UI |
| 12367 | IUPHAR_LIGAND_ID |
| K2R4N34Y9I | UNII |
None