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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, 6-aminopenicillanic acid derivatives | 507 | 27025-49-6 |
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 35 % | |
| BA (Bioavailability) | 43 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.223 | Moderate | 0.77 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 7.727 | Moderate | 0.77 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.750 | 10^-6 cm/s | Moderate | 0.77 |
| dh-clint | Dog hepatocyte intrinsic clearance | 5.610 | uL/min/10^6 cells | Moderate | 0.77 |
| dppb | Dog plasma protein binding (% unbound) | 6.050 | % | Moderate | 0.77 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 6.440 | % | Moderate | 0.77 |
| herg | hERG pIC50 | 4.602 | pIC50 | Moderate | 0.77 |
| hh-clint | Human hepatocyte intrinsic clearance | 4.710 | uL/min/10^6 cells | Moderate | 0.77 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.622 | uL/min/mg protein | Moderate | 0.77 |
| hppb | Human plasma protein binding (% unbound) | 4.170 | % | Moderate | 0.77 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GRK3,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKDC,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 42 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,MAP2K6 | 4 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.834 | Moderate | 0.74 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.992 | Moderate | 0.77 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 25.410 | Moderate | 0.77 | |
| mppb | Mouse plasma protein binding (% unbound) | 3.700 | Moderate | 0.77 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 5.689 | Moderate | 0.77 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 7.440 | % | Moderate | 0.77 |
| rat-kpuu-brain | Rat brain Kpuu | 0.009 | % | Moderate | 0.74 |
| rh-clint | Rat hepatocyte intrinsic clearance | 13.002 | uL/min/10^6 cells | Moderate | 0.77 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 61.800 | % | Moderate | 0.77 |
| rppb | Rat plasma protein binding (% unbound) | 3.320 | % | Moderate | 0.77 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 941.890 | uM | Moderate | 0.77 |
None
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| Source | Code | Description |
|---|---|---|
| ATC | G01AA08 | GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Antibiotics |
| FDA CS | M0016152 | Penicillins |
| FDA EPC | N0000175497 | Penicillin-class Antibacterial |
| 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 |
| MeSH PA | D000892 | Anti-Infective Agents, Urinary |
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.79 | acidic |
| pKa2 | 10.83 | acidic |
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| ID | Source |
|---|---|
| D02199 | KEGG_DRUG |
| 2015 | RXNORM |
| C0007241 | UMLSCUI |
| CHEBI:3414 | CHEBI |
| 0JM | PDB_CHEM_ID |
| CHEMBL1095283 | ChEMBL_ID |
| CHEMBL2105996 | ChEMBL_ID |
| D002323 | MESH_DESCRIPTOR_UI |
| DB13506 | DRUGBANK_ID |
| 12288 | IUPHAR_LIGAND_ID |
| 33672 | PUBCHEM_CID |
| d00092 | MMSL |
| 323761001 | SNOMEDCT_US |
| 34731007 | SNOMEDCT_US |
| 350166000 | SNOMEDCT_US |
| 372713001 | SNOMEDCT_US |
| 417288007 | SNOMEDCT_US |
| C0006976 | UMLSCUI |
| DB00578 | DRUGBANK_ID |
| 20824 | PUBCHEM_CID |
| 3487 | INN_ID |
| 2516 | INN_ID |
| 4019654 | VANDF |
| D002228 | MESH_DESCRIPTOR_UI |
| 9UU4XDB74X | UNII |
| 002700 | NDDF |
| 003946 | NDDF |
| CHEBI:3393 | CHEBI |
| 9UU4XDB74X | INXIGHT DRUGS |
None