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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 534 | 117467-28-4 |
| Dose | Unit | Route |
|---|---|---|
| 0.40 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.08 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 5 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 13.16 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 14 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.917 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 4.207 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 41.879 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 41.783 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 2.290 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 3.570 | % | High | 1 |
| herg | hERG pIC50 | 4.782 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 146.893 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 302.691 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 1.760 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 53 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,DDR1,DYRK1B,EPHB4,GRK2,MAP2K6,MAPK7,PRKDC,STK33,SYK,TEK,TTK | 14 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 12.794 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 212.324 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 2.870 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 34.119 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 3.720 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 240.991 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 39.230 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 2.420 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 100.231 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Aug. 29, 2001 | FDA | VANSEN PHARMA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01DD16 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Third-generation cephalosporins |
| FDA CS | M0003827 | Cephalosporins |
| FDA EPC | N0000175488 | Cephalosporin Antibacterial |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| CHEBI has role | CHEBI:50266 | prodrug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Streptococcal tonsillitis | indication | 41582007 | |
| Bacterial pneumonia | indication | 53084003 | DOID:874 |
| Haemophilus influenzae pneumonia | indication | 70036007 | |
| Pneumococcal pneumonia | indication | 233607000 | |
| Streptococcus pyogenes infection | indication | 302809008 | |
| Infection due to Staphylococcus aureus | indication | 406602003 | |
| Acute exacerbation of chronic bronchitis | indication | 425748003 | |
| Streptococcus Pneumoniae Chronic Bronchitis | indication | ||
| Haemophilus Influenzae Chronic Bronchitis | indication | ||
| Haemophilus Parainfluenzae Chronic Bronchitis | indication | ||
| Moraxella Catarrhalis Chronic Bronchitis | indication | ||
| Haemophilus Parainfluenzae Pneumonia | indication | ||
| Moraxella Catarrhalis Pneumonia | indication | ||
| Factor II deficiency | contraindication | 73975000 | |
| Impaired renal function disorder | contraindication | 197663003 | |
| Pseudomembranous enterocolitis | contraindication | 397683000 | |
| Carnitine deficiency | contraindication | 421784001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.1 | Basic |
| pKa2 | 2.02 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | Enzyme | IC50 | 7.19 | CHEMBL | |||||
| Bacterial penicillin-binding protein | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
| Penicillin-binding protein 3 | Enzyme | WOMBAT-PK | |||||||
| Penicillin-binding protein | Enzyme | WOMBAT-PK |
| ID | Source |
|---|---|
| 4021286 | VUID |
| N0000179384 | NUI |
| D01628 | KEGG_DRUG |
| 72611 | RXNORM |
| C0245519 | UMLSCUI |
| CHEBI:560555 | CHEBI |
| CHEMBL454446 | ChEMBL_ID |
| C057710 | MESH_SUPPLEMENTAL_RECORD_UI |
| 78THA212DH | UNII |
| 6437877 | PUBCHEM_CID |
| DB01066 | DRUGBANK_ID |
| 16137 | MMSL |
| 170703 | MMSL |
| d04767 | MMSL |
| 370399008 | SNOMEDCT_US |
| 370400001 | SNOMEDCT_US |
| 708598002 | SNOMEDCT_US |
| C0287573 | UMLSCUI |
| CHEMBL1743 | ChEMBL_ID |
| 104145-95-1 | SECONDARY_CAS_RN |
| 9870843 | PUBCHEM_CID |
| 12030 | IUPHAR_LIGAND_ID |
| 6919 | INN_ID |
| 4021286 | VANDF |
| 4024247 | VANDF |
| C073460 | MESH_SUPPLEMENTAL_RECORD_UI |
| 81QS09V3YW | UNII |
| 009507 | NDDF |
| 009508 | NDDF |
| CHEBI:59343 | CHEBI |
| 78THA212DH | INXIGHT DRUGS |
| 81QS09V3YW | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Spectracef | HUMAN PRESCRIPTION DRUG LABEL | 1 | 44004-801 | TABLET, FILM COATED | 200 mg | ORAL | NDA | 25 sections |
| Spectracef | HUMAN PRESCRIPTION DRUG LABEL | 1 | 44004-802 | TABLET, FILM COATED | 400 mg | ORAL | NDA | 25 sections |
| Cefditoren Pivoxil | HUMAN PRESCRIPTION DRUG LABEL | 1 | 44009-801 | TABLET, FILM COATED | 200 mg | ORAL | NDA | 25 sections |
| Cefditoren Pivoxil | HUMAN PRESCRIPTION DRUG LABEL | 1 | 44009-802 | TABLET, FILM COATED | 400 mg | ORAL | NDA | 25 sections |