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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, 6-aminopenicillanic acid derivatives | 2539 | 76497-13-7 |
| Dose | Unit | Route |
|---|---|---|
| 1.50 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.011 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 6.823 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.183 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 6.471 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 33.180 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 43.480 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 4.200 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 13.274 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 42.267 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 33.690 | % | Moderate | 0.65 |
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP3K7,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIM2,PRKDC,STK33,SYK,TEK,ZAP70 | 29 | |||
| kinase-selectivity-class | GRK2 | 1 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.167 | Moderate | 0.65 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.214 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 98.855 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 23.070 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 4.677 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 35.890 | % | Moderate | 0.65 |
| rat-kpuu-brain | Rat brain Kpuu | 0.007 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 37.154 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 59.940 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 15.310 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 340.408 | uM | Moderate | 0.65 |
None
None
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 |
|---|---|---|---|---|---|---|
| Autoimmune dermatitis | 57.04 | 44.43 | 7 | 347 | 228 | 110588717 |
None
| Source | Code | Description |
|---|---|---|
| ATC | J01CR04 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE BETA-LACTAM ANTIBACTERIALS, PENICILLINS Combinations of penicillins, incl. beta-lactamase inhibitors |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.17 | Basic |
None
None
None
| ID | Source |
|---|---|
| 4023134 | VUID |
| N0000021139 | NUI |
| D05972 | KEGG_DRUG |
| 4023134 | VANDF |
| C2930041 | UMLSCUI |
| CHEBI:51770 | CHEBI |
| CHEMBL506110 | ChEMBL_ID |
| DB12127 | DRUGBANK_ID |
| C035444 | MESH_SUPPLEMENTAL_RECORD_UI |
| 12290 | IUPHAR_LIGAND_ID |
| 5151 | INN_ID |
| 65DT0ML581 | UNII |
| 444022 | PUBCHEM_CID |
| 1009148 | RXNORM |
| 43062 | MMSL |
| d00090 | MMSL |
| 005765 | NDDF |
| 398786001 | SNOMEDCT_US |
| 710202000 | SNOMEDCT_US |
None