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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 576 | 38821-53-3 |
| Dose | Unit | Route |
|---|---|---|
| 2 | g | O |
| 2 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 26 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 86 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 190.89 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 94 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.21 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 3.30 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.95 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 0.85 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.489 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.813 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.524 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.042 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 82.450 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 62.990 | % | High | 1 |
| herg | hERG pIC50 | 4.356 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.950 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.589 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 71.010 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,GRK3,GSK3B,ITK,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,NTRK2,PDK1,PDK2,PIK3CA,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK | 44 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,EIF2AK3,EPHB4,GRK2,JAK2,MAP2K6,MAP3K14,MAPK7,PRKDC,STK33,TEK,TGFBR1 | 14 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.973 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 2.046 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 77.130 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.466 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 68.630 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.262 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 90.540 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 71.380 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 941.890 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Aug. 19, 1974 | FDA | APOTHECON |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Foetal monitoring abnormal | 70.11 | 67.45 | 9 | 459 | 259 | 90627720 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Foetal monitoring abnormal | 64.98 | 51.50 | 8 | 474 | 194 | 110588623 |
| Incubator therapy | 54.59 | 51.50 | 6 | 476 | 51 | 110588766 |
| Foetal arrhythmia | 53.90 | 51.50 | 6 | 476 | 58 | 110588759 |
None
| Source | Code | Description |
|---|---|---|
| ATC | J01DB09 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS First-generation cephalosporins |
| 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 | |
| Prostatitis | indication | 9713002 | DOID:14654 |
| Haemophilus Influenzae Acute Otitis Media | indication | 19021002 | |
| Infection of skin AND/OR subcutaneous tissue | indication | 19824006 | |
| Staphylococcal pneumonia | indication | 22754005 | |
| Pneumonia due to Streptococcus | indication | 34020007 | |
| Streptococcal tonsillitis | indication | 41582007 | |
| Lower respiratory tract infection | indication | 50417007 | |
| Upper respiratory infection | indication | 54150009 | |
| Klebsiella cystitis | indication | 60867007 | |
| Urinary tract infectious disease | indication | 68566005 | |
| Haemophilus influenzae pneumonia | indication | 70036007 | |
| Tonsillitis | indication | 90176007 | DOID:10456 |
| Infection of bone | indication | 111253001 | |
| Bacterial infection due to Klebsiella pneumoniae | indication | 186435004 | |
| Pneumonia | indication | 233604007 | DOID:552 |
| Escherichia coli urinary tract infection | indication | 301011002 | |
| Proteus urinary tract infection | indication | 301012009 | |
| Streptococcus pyogenes infection | indication | 302809008 | |
| Infective otitis media | indication | 312218008 | |
| Infectious disorder of joint | indication | 363162000 | |
| Pharyngitis | indication | 405737000 | DOID:2275 |
| Infection due to Staphylococcus aureus | indication | 406602003 | |
| Staphylococcus Acute Otitis Media | indication | 703469002 | |
| Enterococcus Urinary Tract Infection | indication | ||
| Klebsiella Prostatitis | indication | ||
| Prevention of Perioperative Infection | indication | ||
| Proteus Prostatitis | indication | ||
| Enterococcus Prostatitis | indication | ||
| Acute nephropathy | contraindication | 58574008 | |
| Pseudomembranous enterocolitis | contraindication | 397683000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.77 | acidic |
| pKa2 | 7.56 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | Enzyme | IC50 | 5.40 | WOMBAT-PK | |||||
| Somatostatin receptor type 4 | GPCR | IC50 | 4.30 | WOMBAT-PK | |||||
| Bacterial penicillin-binding protein | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
| Penicillin-binding protein 1A | Enzyme | WOMBAT-PK |
| ID | Source |
|---|---|
| 4017745 | VUID |
| N0000146111 | NUI |
| D00264 | KEGG_DRUG |
| 2239 | RXNORM |
| C0007738 | UMLSCUI |
| CHEBI:3547 | CHEBI |
| CHEMBL1604 | ChEMBL_ID |
| DB01333 | DRUGBANK_ID |
| 38103 | PUBCHEM_CID |
| 3082 | MMSL |
| 4397 | MMSL |
| d00053 | MMSL |
| 002718 | NDDF |
| 16791000 | SNOMEDCT_US |
| 387091007 | SNOMEDCT_US |
| D002515 | MESH_DESCRIPTOR_UI |
| 4830 | IUPHAR_LIGAND_ID |
| 4017745 | VANDF |
| F1BC02I72W | UNII |
None