| Stem definition | Drug id | CAS RN |
|---|---|---|
| nucleosides antiviral or antineoplastic agents, cytarabine or azacitidine derivatives | 1012 | 55726-47-1 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 20 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.958 | Moderate | 0.71 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 13.213 | Moderate | 0.71 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.003 | 10^-6 cm/s | Moderate | 0.71 |
| dh-clint | Dog hepatocyte intrinsic clearance | 75.683 | uL/min/10^6 cells | Moderate | 0.71 |
| dppb | Dog plasma protein binding (% unbound) | 0.070 | % | Moderate | 0.71 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.010 | % | Moderate | 0.71 |
| herg | hERG pIC50 | 4.471 | pIC50 | Moderate | 0.71 |
| hh-clint | Human hepatocyte intrinsic clearance | 120.226 | uL/min/10^6 cells | Moderate | 0.71 |
| hlm-clint | Human liver microsomal intrinsic clearance | 51.168 | uL/min/mg protein | Moderate | 0.71 |
| hppb | Human plasma protein binding (% unbound) | 0.290 | % | Moderate | 0.71 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.832 | Moderate | 0.71 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 43.152 | Moderate | 0.71 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.090 | Moderate | 0.71 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.082 | Moderate | 0.71 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.060 | % | Moderate | 0.71 |
| rh-clint | Rat hepatocyte intrinsic clearance | 29.992 | uL/min/10^6 cells | Moderate | 0.71 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 0.010 | % | Moderate | 0.71 |
| rppb | Rat plasma protein binding (% unbound) | 0.140 | % | Moderate | 0.71 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 0.318 | uM | Moderate | 0.71 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| FDA MoA | N0000000233 | Nucleic Acid Synthesis Inhibitors |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D000998 | Antiviral Agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D000964 | Antimetabolites, Antineoplastic |
| MeSH PA | D007155 | Immunologic Factors |
| MeSH PA | D007166 | Immunosuppressive Agents |
| FDA EPC | N0000175595 | Nucleoside Metabolic Inhibitor |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:35221 | antimetabolite |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35705 | immunosuppressive agent |
| CHEBI has role | CHEBI:38068 | antimalarial |
| CHEBI has role | CHEBI:50249 | anticoagulant |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:75835 | anti-anaemic agent |
| CHEBI has role | CHEBI:233423 | antifibrotic agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.91 | acidic |
| pKa2 | 12.42 | acidic |
| pKa3 | 12.58 | acidic |
| pKa4 | 13.11 | acidic |
| pKa5 | 1.62 | Basic |
None
None
None
| ID | Source |
|---|---|
| D01633 | KEGG_DRUG |
| 4018080 | VANDF |
| C0059364 | UMLSCUI |
| CHEBI:31537 | CHEBI |
| AR3 | PDB_CHEM_ID |
| CHEMBL2106589 | ChEMBL_ID |
| C015019 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5121 | INN_ID |
| 9YVR68W306 | UNII |
| 71734 | PUBCHEM_CID |
| 3041 | RXNORM |
| 372 | MMSL |
| 4526 | MMSL |
| d00201 | MMSL |
| 002649 | NDDF |
| 010917 | NDDF |
| 387511003 | SNOMEDCT_US |
| 89265009 | SNOMEDCT_US |
| C0010711 | UMLSCUI |
| DB00987 | DRUGBANK_ID |
| 6253 | PUBCHEM_CID |
| 1709 | INN_ID |
| D003561 | MESH_DESCRIPTOR_UI |
| CHEBI:28680 | CHEBI |
None