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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 572 | 3577-01-3 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.808 | Moderate | 0.75 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.796 | Moderate | 0.75 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.182 | 10^-6 cm/s | Moderate | 0.75 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.339 | uL/min/10^6 cells | Moderate | 0.75 |
| dppb | Dog plasma protein binding (% unbound) | 83.530 | % | Moderate | 0.75 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 63.690 | % | Moderate | 0.75 |
| herg | hERG pIC50 | 4.410 | pIC50 | Moderate | 0.75 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.535 | uL/min/10^6 cells | Moderate | 0.75 |
| hlm-clint | Human liver microsomal intrinsic clearance | 5.321 | uL/min/mg protein | Moderate | 0.75 |
| hppb | Human plasma protein binding (% unbound) | 68.180 | % | Moderate | 0.75 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GRK3,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK | 43 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,DYRK1B,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK7,PDK4,STK33,SYK,TEK,TGFBR1 | 14 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.637 | Moderate | 0.70 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.568 | Moderate | 0.75 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 8.492 | Moderate | 0.75 | |
| mppb | Mouse plasma protein binding (% unbound) | 76.020 | Moderate | 0.75 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.885 | Moderate | 0.75 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 53.910 | % | Moderate | 0.75 |
| rat-kpuu-brain | Rat brain Kpuu | 0.008 | % | Moderate | 0.70 |
| rh-clint | Rat hepatocyte intrinsic clearance | 6.138 | uL/min/10^6 cells | Moderate | 0.75 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 88.950 | % | Moderate | 0.75 |
| rppb | Rat plasma protein binding (% unbound) | 57.370 | % | Moderate | 0.75 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1000 | uM | Moderate | 0.75 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| June 12, 1970 | FDA | LILLY |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.39 | acidic |
| pKa2 | 13.53 | acidic |
| pKa3 | 7.67 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Bacterial penicillin-binding protein | Enzyme | INHIBITOR | CHEMBL | CHEMBL |
| ID | Source |
|---|---|
| D01949 | KEGG_DRUG |
| 22202-75-1 | SECONDARY_CAS_RN |
| CHEMBL1200971 | ChEMBL_ID |
| 12193 | IUPHAR_LIGAND_ID |
| DB00689 | DRUGBANK_ID |
| 002714 | NDDF |
| 39123009 | SNOMEDCT_US |
| C0007721 | UMLSCUI |
| D002507 | MESH_DESCRIPTOR_UI |
| CHEBI:34613 | CHEBI |
| 19150 | PUBCHEM_CID |
| NE7R11LA95 | UNII |
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