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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 544 | 60925-61-3 |
| Dose | Unit | Route |
|---|---|---|
| 4 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 84 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 64.09 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 0.17 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.66 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.19 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 3 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.716 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.528 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.263 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.052 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 82.750 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 58.770 | % | High | 1 |
| herg | hERG pIC50 | 4.985 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.259 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.524 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 71.050 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,GRK3,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK | 39 | |||
| kinase-selectivity-class | AXL,BRAF,CDK4,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,JAK2,MAP2K6,MAPK7,STK33,TEK,TTK | 15 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.804 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 1.936 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 81.500 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.736 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 63.950 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.318 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 86.800 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 69.900 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 931.108 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| May 24, 1984 | FDA |
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| Source | Code | Description |
|---|---|---|
| ATC | J01DC11 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Second-generation cephalosporins |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.63 | acidic |
| pKa2 | 3.92 | acidic |
| pKa3 | 9.83 | 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 | |||||
| Penicillin-binding protein 1A | Enzyme | WOMBAT-PK |
| ID | Source |
|---|---|
| 4018152 | VUID |
| N0000146489 | NUI |
| D00259 | KEGG_DRUG |
| 61336-41-2 | SECONDARY_CAS_RN |
| 20486 | RXNORM |
| C0055008 | UMLSCUI |
| CHEBI:3495 | CHEBI |
| CHEMBL1201046 | ChEMBL_ID |
| DB00923 | DRUGBANK_ID |
| C012653 | MESH_SUPPLEMENTAL_RECORD_UI |
| 12218 | IUPHAR_LIGAND_ID |
| 4465 | INN_ID |
| 8M1YF8951V | UNII |
| 43507 | PUBCHEM_CID |
| 1668008 | SNOMEDCT_US |
| 4018152 | VANDF |
| 002733 | NDDF |
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