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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, produced by Streptomyces strains | 2472 | 24916-51-6 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.404 | High | 0.86 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 22.336 | High | 0.86 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 2.851 | 10^-6 cm/s | High | 0.86 |
| dh-clint | Dog hepatocyte intrinsic clearance | 14.028 | uL/min/10^6 cells | High | 0.86 |
| dppb | Dog plasma protein binding (% unbound) | 54.590 | % | High | 0.86 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 42.120 | % | High | 0.86 |
| herg | hERG pIC50 | 4.395 | pIC50 | High | 0.86 |
| hh-clint | Human hepatocyte intrinsic clearance | 8.453 | uL/min/10^6 cells | High | 0.86 |
| hlm-clint | Human liver microsomal intrinsic clearance | 71.945 | uL/min/mg protein | High | 0.86 |
| hppb | Human plasma protein binding (% unbound) | 54.930 | % | High | 0.86 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PRKDC,TEK | 18 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 7.780 | High | 0.86 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 11.298 | High | 0.86 | |
| mppb | Mouse plasma protein binding (% unbound) | 55.670 | High | 0.86 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 11.722 | High | 0.86 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 58.490 | % | High | 0.86 |
| rh-clint | Rat hepatocyte intrinsic clearance | 15.311 | uL/min/10^6 cells | High | 0.86 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 75.420 | % | High | 0.86 |
| rppb | Rat plasma protein binding (% unbound) | 50 | % | High | 0.86 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 816.582 | uM | High | 0.86 |
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:76969 | bacterial metabolite |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.8 | acidic |
| pKa2 | 8.03 | Basic |
| pKa3 | 7.35 | Basic |
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| ID | Source |
|---|---|
| D02420 | KEGG_DRUG |
| C0050540 | UMLSCUI |
| CHEMBL6195749 | ChEMBL_ID |
| C033163 | MESH_SUPPLEMENTAL_RECORD_UI |
| 05298J5WMU | UNII |
| 49787020 | PUBCHEM_CID |
| 698261002 | SNOMEDCT_US |
| CHEBI:31168 | CHEBI |
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