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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 541 | 69739-16-8 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 2 | g | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 270 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 80 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 56.95 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 0 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.05 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.61 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.18 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 4.20 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -2.002 | Moderate | 0.76 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.644 | Moderate | 0.76 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.764 | 10^-6 cm/s | Moderate | 0.76 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.786 | uL/min/10^6 cells | Moderate | 0.76 |
| dppb | Dog plasma protein binding (% unbound) | 32.830 | % | Moderate | 0.76 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 33.030 | % | Moderate | 0.76 |
| herg | hERG pIC50 | 4.468 | pIC50 | Moderate | 0.76 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.570 | uL/min/10^6 cells | Moderate | 0.76 |
| hlm-clint | Human liver microsomal intrinsic clearance | 4.508 | uL/min/mg protein | Moderate | 0.76 |
| hppb | Human plasma protein binding (% unbound) | 9.560 | % | Moderate | 0.76 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,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,MAPKAPK5,MARK4,MTOR,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 59 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,DYRK1B,EIF2AK3,EPHB4,GRK2,JAK2,MAP2K6,MAP3K14,MAPK7,PRKDC,STK33,TEK,TGFBR1,TTK | 16 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.673 | Moderate | 0.76 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.256 | Moderate | 0.76 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 5.875 | Moderate | 0.76 | |
| mppb | Mouse plasma protein binding (% unbound) | 37.760 | Moderate | 0.76 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.596 | Moderate | 0.76 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 20.370 | % | Moderate | 0.76 |
| rat-kpuu-brain | Rat brain Kpuu | 0.008 | % | Moderate | 0.76 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.340 | uL/min/10^6 cells | Moderate | 0.76 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 88.230 | % | Moderate | 0.76 |
| rppb | Rat plasma protein binding (% unbound) | 9.560 | % | Moderate | 0.76 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 893.305 | uM | Moderate | 0.76 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1991 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | J01DD09 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Third-generation cephalosporins |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:59997 | EC 1.14.18.1 (tyrosinase) inhibitor |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.7 | acidic |
| pKa2 | 3.71 | acidic |
| pKa3 | 13.31 | acidic |
| pKa4 | 2.98 | Basic |
| pKa5 | 2.38 | Basic |
None
None
None
| ID | Source |
|---|---|
| D07643 | KEGG_DRUG |
| 20485 | RXNORM |
| C0055007 | UMLSCUI |
| CHEBI:63214 | CHEBI |
| CHEMBL2303613 | ChEMBL_ID |
| DB13470 | DRUGBANK_ID |
| C033356 | MESH_SUPPLEMENTAL_RECORD_UI |
| 12032 | IUPHAR_LIGAND_ID |
| 4967 | INN_ID |
| Z31298J4HQ | UNII |
| 5361871 | PUBCHEM_CID |
| 387539002 | SNOMEDCT_US |
| 96055008 | SNOMEDCT_US |
| 86329-79-5 | SECONDARY_CAS_RN |
| 003947 | NDDF |
| 004164 | NDDF |
| Z31298J4HQ | INXIGHT DRUGS |
None