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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-infectives, sulfonamides | 2490 | 116-43-8 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.706 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.495 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.364 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.426 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 33.750 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 39.070 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 4.530 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.455 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.155 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 18.460 | % | Moderate | 0.65 |
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PDK1,PDK2,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 51 | |||
| kinase-selectivity-class | AURKA,AXL,BRAF,DDR1,EIF2AK3,GRK2,MAPK7,PDK1,PDK2,PDK4,STK33,TEK,TTK | 13 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.604 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 3.327 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 49.540 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.449 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 29.040 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.726 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 86.880 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 17.710 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 950.605 | uM | Moderate | 0.65 |
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| Source | Code | Description |
|---|---|---|
| ATC | A07AB04 | ALIMENTARY TRACT AND METABOLISM ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS INTESTINAL ANTIINFECTIVES Sulfonamides |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.55 | acidic |
| pKa2 | 6.8 | acidic |
| pKa3 | 13.28 | acidic |
| pKa4 | 1.61 | Basic |
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| ID | Source |
|---|---|
| D07060 | KEGG_DRUG |
| C0075470 | UMLSCUI |
| CHEBI:9309 | CHEBI |
| CHEMBL1484857 | ChEMBL_ID |
| DB13580 | DRUGBANK_ID |
| CHEMBL268869 | ChEMBL_ID |
| C009342 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5315 | PUBCHEM_CID |
| 420 | INN_ID |
| RSS8647O4S | UNII |
| 37289 | RXNORM |
| 002837 | NDDF |
| 64669003 | SNOMEDCT_US |
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