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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-infectives, sulfonamides | 3560 | 115-68-4 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.684 | Moderate | 0.67 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.786 | Moderate | 0.67 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 17.179 | 10^-6 cm/s | Moderate | 0.67 |
| dh-clint | Dog hepatocyte intrinsic clearance | 3.690 | uL/min/10^6 cells | Moderate | 0.67 |
| dppb | Dog plasma protein binding (% unbound) | 20.560 | % | Moderate | 0.67 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 25.350 | % | Moderate | 0.67 |
| herg | hERG pIC50 | 3.833 | pIC50 | Moderate | 0.67 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.472 | uL/min/10^6 cells | Moderate | 0.67 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.266 | uL/min/mg protein | Moderate | 0.67 |
| hppb | Human plasma protein binding (% unbound) | 14.750 | % | Moderate | 0.67 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK1,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MTOR,NTRK2,PAK4,PDK1,PDK2,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 60 | |||
| kinase-selectivity-class | ACVR2A,AURKA,AXL,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,MAP2K6,MAP3K7,MAPK7,MARK4,PDK2,SIK2,STK33,SYK,TEK,TTK,ULK1 | 20 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.041 | Moderate | 0.67 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 7.798 | Moderate | 0.67 | |
| mppb | Mouse plasma protein binding (% unbound) | 33.490 | Moderate | 0.67 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.104 | Moderate | 0.67 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 16.630 | % | Moderate | 0.67 |
| rh-clint | Rat hepatocyte intrinsic clearance | 2.911 | uL/min/10^6 cells | Moderate | 0.67 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 94.480 | % | Moderate | 0.67 |
| rppb | Rat plasma protein binding (% unbound) | 10.320 | % | Moderate | 0.67 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 944.061 | uM | Moderate | 0.67 |
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| Source | Code | Description |
|---|---|---|
| ATC | S01AB03 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIINFECTIVES Sulfonamides |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.63 | acidic |
| pKa2 | 1.98 | Basic |
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| ID | Source |
|---|---|
| D07412 | KEGG_DRUG |
| C3652541 | UMLSCUI |
| CHEBI:135039 | CHEBI |
| CHEMBL2104910 | ChEMBL_ID |
| DB13214 | DRUGBANK_ID |
| 8281 | PUBCHEM_CID |
| 314 | INN_ID |
| 7WZ5EG263C | UNII |
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