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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, cefalosporanic acid derivatives | 3076 | 82547-58-8 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Dose | Unit | Route |
|---|---|---|
| 0.40 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.774 | Moderate | 0.78 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.153 | Moderate | 0.78 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.153 | 10^-6 cm/s | Moderate | 0.78 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.959 | uL/min/10^6 cells | Moderate | 0.78 |
| dppb | Dog plasma protein binding (% unbound) | 61.040 | % | Moderate | 0.78 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 46.670 | % | Moderate | 0.78 |
| herg | hERG pIC50 | 4.185 | pIC50 | Moderate | 0.78 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.400 | uL/min/10^6 cells | Moderate | 0.78 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.811 | uL/min/mg protein | Moderate | 0.78 |
| hppb | Human plasma protein binding (% unbound) | 35.940 | % | Moderate | 0.78 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PDK1,PDK2,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TTK | 46 | |||
| kinase-selectivity-class | AXL,DYRK1B,EIF2AK3,GRK2,MAP2K6,MAP3K14,MAPK7,STK33,TEK,TTK | 10 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 9.506 | Moderate | 0.78 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.355 | Moderate | 0.78 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 3.388 | Moderate | 0.78 | |
| mppb | Mouse plasma protein binding (% unbound) | 56.190 | Moderate | 0.78 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.936 | Moderate | 0.78 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 45.350 | % | Moderate | 0.78 |
| rat-kpuu-brain | Rat brain Kpuu | 0.007 | % | Moderate | 0.78 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.390 | uL/min/10^6 cells | Moderate | 0.78 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 90.780 | % | Moderate | 0.78 |
| rppb | Rat plasma protein binding (% unbound) | 34.830 | % | Moderate | 0.78 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 926.830 | uM | Moderate | 0.78 |
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| Source | Code | Description |
|---|---|---|
| ATC | J01DD18 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER BETA-LACTAM ANTIBACTERIALS Third-generation cephalosporins |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.95 | acidic |
| pKa2 | 13.31 | acidic |
| pKa3 | 3.1 | Basic |
None
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None
| ID | Source |
|---|---|
| D07655 | KEGG_DRUG |
| C0108946 | UMLSCUI |
| CHEBI:135776 | CHEBI |
| CHEMBL2105953 | ChEMBL_ID |
| C049493 | MESH_SUPPLEMENTAL_RECORD_UI |
| 11051 | IUPHAR_LIGAND_ID |
| 5947 | INN_ID |
| 74CQ4Q3N63 | UNII |
| 6537431 | PUBCHEM_CID |
| 008157 | NDDF |
None