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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 552 | 70797-11-4 |
| Dose | Unit | Route |
|---|---|---|
| 2 | g | P |
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.15 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.48 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.03 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 5.40 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.543 | High | 0.80 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.989 | High | 0.80 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.392 | 10^-6 cm/s | High | 0.80 |
| dh-clint | Dog hepatocyte intrinsic clearance | 0.953 | uL/min/10^6 cells | High | 0.80 |
| dppb | Dog plasma protein binding (% unbound) | 43.190 | % | High | 0.80 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 40.230 | % | High | 0.80 |
| herg | hERG pIC50 | 4.490 | pIC50 | High | 0.80 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.371 | uL/min/10^6 cells | High | 0.80 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.459 | uL/min/mg protein | High | 0.80 |
| hppb | Human plasma protein binding (% unbound) | 16.700 | % | High | 0.80 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,GRK3,GSK3B,ITK,JAK2,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PIM2,PRKDC,STK33,SYK,TEK | 31 | |||
| kinase-selectivity-class | AXL,CDK9,DYRK1B,EIF2AK3,GRK2,MAPK7 | 6 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.421 | High | 0.80 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 2.089 | High | 0.80 | |
| mppb | Mouse plasma protein binding (% unbound) | 45.460 | High | 0.80 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.627 | High | 0.80 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 25.880 | % | High | 0.80 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.250 | uL/min/10^6 cells | High | 0.80 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 87.420 | % | High | 0.80 |
| rppb | Rat plasma protein binding (% unbound) | 20.300 | % | High | 0.80 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 937.562 | uM | High | 0.80 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 31, 1989 | FDA |
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| Source | Code | Description |
|---|---|---|
| ATC | J01DD11 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Third-generation cephalosporins |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.63 | acidic |
| pKa2 | 4.77 | acidic |
| pKa3 | 7.36 | acidic |
| pKa4 | 11.57 | acidic |
| pKa5 | 3.44 | 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 |
|---|---|
| D01904 | KEGG_DRUG |
| 74849-93-7 | SECONDARY_CAS_RN |
| C0055010 | UMLSCUI |
| CHEBI:59213 | CHEBI |
| CHEMBL1201204 | ChEMBL_ID |
| CHEMBL1200672 | ChEMBL_ID |
| DB00430 | DRUGBANK_ID |
| C036666 | MESH_SUPPLEMENTAL_RECORD_UI |
| 12027 | IUPHAR_LIGAND_ID |
| 5152 | INN_ID |
| P936YA152N | UNII |
| 636405 | PUBCHEM_CID |
| 010933 | NDDF |
| 010934 | NDDF |
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