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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 573 | 50-59-9 |
| Dose | Unit | Route |
|---|---|---|
| 3 | g | P |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 206.30 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Hosey CM, Chan R, Benet LZ |
| Vd (Volume of distribution) | 0.46 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) | 0.80 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.50 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 20 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 0 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.685 | High | 0.88 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.208 | High | 0.88 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.390 | 10^-6 cm/s | High | 0.88 |
| dh-clint | Dog hepatocyte intrinsic clearance | 3.177 | uL/min/10^6 cells | High | 0.88 |
| dppb | Dog plasma protein binding (% unbound) | 65.840 | % | High | 0.88 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 56.300 | % | High | 0.88 |
| herg | hERG pIC50 | 4.422 | pIC50 | High | 0.88 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.968 | uL/min/10^6 cells | High | 0.88 |
| hlm-clint | Human liver microsomal intrinsic clearance | 13.428 | uL/min/mg protein | High | 0.88 |
| hppb | Human plasma protein binding (% unbound) | 46.320 | % | High | 0.88 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GRK3,GSK3B,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TTK,ZAP70 | 46 | |||
| kinase-selectivity-class | AXL,GRK2,MAP2K6,MAPK7,STK33,TEK,TTK | 7 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 4.467 | High | 0.88 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.535 | High | 0.88 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 10.593 | High | 0.88 | |
| mppb | Mouse plasma protein binding (% unbound) | 55.730 | High | 0.88 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 5.420 | High | 0.88 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 61.200 | % | High | 0.88 |
| rat-kpuu-brain | Rat brain Kpuu | 0.010 | % | High | 0.88 |
| rh-clint | Rat hepatocyte intrinsic clearance | 7.907 | uL/min/10^6 cells | High | 0.88 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 85.650 | % | High | 0.88 |
| rppb | Rat plasma protein binding (% unbound) | 49.080 | % | High | 0.88 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 509.331 | uM | High | 0.88 |
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| Source | Code | Description |
|---|---|---|
| ATC | J01DB02 | 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 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.83 | acidic |
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| ID | Source |
|---|---|
| N0000008008 | NUI |
| D01075 | KEGG_DRUG |
| 2233 | RXNORM |
| C0007727 | UMLSCUI |
| CHEBI:3537 | CHEBI |
| CHEMBL316157 | ChEMBL_ID |
| DB09008 | DRUGBANK_ID |
| 12189 | IUPHAR_LIGAND_ID |
| 5773 | PUBCHEM_CID |
| 002713 | NDDF |
| 28588009 | SNOMEDCT_US |
| 702746007 | SNOMEDCT_US |
| D002509 | MESH_DESCRIPTOR_UI |
| 1910 | INN_ID |
| LVZ1VC61HB | UNII |
| LVZ1VC61HB | INXIGHT DRUGS |
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