| Stem definition | Drug id | CAS RN |
|---|---|---|
| uridine derivatives used as antiviral agents and as antineoplastics | 1023 | 60136-25-6 |
| Molecule | Description |
|---|---|
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.267 | Moderate | 0.73 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 7.852 | Moderate | 0.73 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 2.109 | 10^-6 cm/s | Moderate | 0.73 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.493 | uL/min/10^6 cells | Moderate | 0.73 |
| dppb | Dog plasma protein binding (% unbound) | 91.610 | % | Moderate | 0.73 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 93.080 | % | Moderate | 0.73 |
| herg | hERG pIC50 | 3.671 | pIC50 | Moderate | 0.73 |
| hh-clint | Human hepatocyte intrinsic clearance | 0.925 | uL/min/10^6 cells | Moderate | 0.73 |
| hlm-clint | Human liver microsomal intrinsic clearance | 2.992 | uL/min/mg protein | Moderate | 0.73 |
| hppb | Human plasma protein binding (% unbound) | 93.860 | % | Moderate | 0.73 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAP3K21,MAPK7,NTRK2,PDK1,PDK2,PRKDC,TEK | 19 | |||
| kinase-selectivity-class | GRK2,PDK1 | 2 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 2.377 | Moderate | 0.73 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.500 | Moderate | 0.73 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 0.618 | Moderate | 0.73 | |
| mppb | Mouse plasma protein binding (% unbound) | 95.750 | Moderate | 0.73 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.754 | Moderate | 0.73 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.75 | |
| pppb | Pig plasma protein binding (% unbound) | 94.820 | % | Moderate | 0.73 |
| rat-kpuu-brain | Rat brain Kpuu | 0.045 | % | Moderate | 0.73 |
| rh-clint | Rat hepatocyte intrinsic clearance | 0.925 | uL/min/10^6 cells | Moderate | 0.73 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 94.150 | % | Moderate | 0.73 |
| rppb | Rat plasma protein binding (% unbound) | 93.330 | % | Moderate | 0.73 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 946.237 | uM | Moderate | 0.73 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.22 | acidic |
| pKa2 | 13.02 | acidic |
| pKa3 | 13.7 | acidic |
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| ID | Source |
|---|---|
| D07899 | KEGG_DRUG |
| C2700002 | UMLSCUI |
| CHEBI:135111 | CHEBI |
| CHEMBL2104604 | ChEMBL_ID |
| 512735 | PUBCHEM_CID |
| 6439 | INN_ID |
| 3G05PH9FAS | UNII |
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