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| Stem definition | Drug id | CAS RN |
|---|---|---|
| nitrogen monoxide (nitric oxide, NO) donors | 4674 | 163133-43-5 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.500 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.340 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 9.036 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 350.752 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 0.400 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.400 | % | High | 1 |
| herg | hERG pIC50 | 5.106 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 512.861 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 263.633 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 0.580 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,STK33,SYK,TEK,TTK,ZAP70 | 47 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,DDR1,DYRK1B,EPHB4,GRK2,MAP2K6,MAPK7,PDK4,PRKDC,STK33,TEK,TTK | 14 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.564 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 450.817 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.570 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.785 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 1.560 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 269.153 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 5.270 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.420 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1.371 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | M01AE18 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Propionic acid derivatives |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D020030 | Nitric Oxide Donors |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:35544 | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor |
| CHEBI has role | CHEBI:50266 | prodrug |
| CHEBI has role | CHEBI:50566 | nitric oxide donor |
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| ID | Source |
|---|---|
| D09568 | KEGG_DRUG |
| CHEBI:76254 | CHEBI |
| CHEMBL2103831 | ChEMBL_ID |
| C111751 | MESH_SUPPLEMENTAL_RECORD_UI |
| 9551 | IUPHAR_LIGAND_ID |
| 8673 | INN_ID |
| DB06682 | DRUGBANK_ID |
| V24GR4LI3I | UNII |
| C0673815 | UMLSCUI |
| 9884642 | PUBCHEM_CID |
| C094069 | MESH_SUPPLEMENTAL_RECORD_UI |
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