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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2471 | 24916-50-5 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.077 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 28.840 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.552 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 8.570 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 62.620 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 54.190 | % | High | 1 |
| herg | hERG pIC50 | 4.308 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.884 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 26.977 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 62.080 | % | High | 1 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PRKDC,TEK,TGFBR1 | 19 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 6.950 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 5.970 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 61.420 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 9.954 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 67.280 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 6.918 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 78.910 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 56.580 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 879.023 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:76969 | bacterial metabolite |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
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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 |
|---|---|
| 22875-15-6 | SECONDARY_CAS_RN |
| C0037962 | UMLSCUI |
| CHEBI:747762 | CHEBI |
| SPR | PDB_CHEM_ID |
| CHEMBL6195749 | ChEMBL_ID |
| DB06145 | DRUGBANK_ID |
| 033ECH6IFG | UNII |
| 5289394 | PUBCHEM_CID |
| 9991 | RXNORM |
| 002766 | NDDF |
| 302007 | SNOMEDCT_US |
| 387163002 | SNOMEDCT_US |
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