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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 562 | 97519-39-6 |
| Dose | Unit | Route |
|---|---|---|
| 0.40 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | 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) | 71 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 13.92 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 82.50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2 | 63 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,DYRK1B,EIF2AK3,EPHB4,GRK2,JAK2,MAP2K6,MAP3K14,MAPK7,PRKDC,STK33,TEK,TGFBR1,TTK | 17 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 20, 1995 | FDA | PERNIX THERAP |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01DD14 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Third-generation cephalosporins |
| FDA CS | M0003827 | Cephalosporins |
| FDA EPC | N0000175488 | Cephalosporin Antibacterial |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Acute otitis media | indication | 3110003 | |
| Haemophilus Influenzae Acute Otitis Media | indication | 19021002 | |
| Streptococcal tonsillitis | indication | 41582007 | |
| Tonsillitis | indication | 90176007 | DOID:10456 |
| Acute bacterial bronchitis | indication | 233598009 | |
| Streptococcus pyogenes infection | indication | 302809008 | |
| Infective otitis media | indication | 312218008 | |
| Moraxella Catarrhalis Acute Otitis Media | indication | 703469002 | |
| Moraxella Catarrhalis Chronic Bronchitis | indication | ||
| Streptococcus Pneumoniae Chronic Bronchitis | indication | ||
| Haemophilus Influenzae Chronic Bronchitis | indication | ||
| Colitis | contraindication | 64226004 | DOID:0060180 |
| Impaired renal function disorder | contraindication | 197663003 | |
| Pseudomembranous enterocolitis | contraindication | 397683000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.57 | acidic |
| pKa2 | 3.25 | acidic |
| pKa3 | 13.9 | acidic |
| pKa4 | 3.85 | Basic |
None
None
| 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 | Enzyme | WOMBAT-PK | |||||||
| Penicillin-binding protein 3 | Enzyme | WOMBAT-PK |
| ID | Source |
|---|---|
| 4020946 | VUID |
| N0000148426 | NUI |
| D00922 | KEGG_DRUG |
| 118081-34-8 | SECONDARY_CAS_RN |
| 1297879 | RXNORM |
| C0055014 | UMLSCUI |
| CHEBI:34618 | CHEBI |
| CHEMBL1605 | ChEMBL_ID |
| CHEMBL1200985 | ChEMBL_ID |
| D000077722 | MESH_DESCRIPTOR_UI |
| DB01415 | DRUGBANK_ID |
| 5282242 | PUBCHEM_CID |
| 12029 | IUPHAR_LIGAND_ID |
| 6335 | INN_ID |
| IW71N46B4Y | UNII |
| 207361 | MMSL |
| 4385 | MMSL |
| 5363 | MMSL |
| d03874 | MMSL |
| 005181 | NDDF |
| 007869 | NDDF |
| 387535008 | SNOMEDCT_US |
| 96051004 | SNOMEDCT_US |
| 4020946 | VANDF |
| 4020947 | VANDF |
| IW71N46B4Y | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Cedax | HUMAN PRESCRIPTION DRUG LABEL | 1 | 59630-820 | CAPSULE | 400 mg | ORAL | NDA | 28 sections |
| Cedax | HUMAN PRESCRIPTION DRUG LABEL | 1 | 59630-821 | SUSPENSION | 18 mg | ORAL | NDA | 28 sections |