| Stem definition | Drug id | CAS RN |
|---|---|---|
| 89 | 73-24-5 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.017 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 3.483 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 4.508 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.222 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 69.610 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 62.290 | % | High | 1 |
| herg | hERG pIC50 | 4.112 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.950 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.802 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 50.170 | % | High | 1 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.119 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 2.655 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 86.240 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.432 | High | 1 | |
| pppb | Pig plasma protein binding (% unbound) | 76.810 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.112 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 92.980 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 73.320 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 843.335 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 8, 2021 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:75772 | <em>Saccharomyces cerevisiae </em> metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
| CHEBI has role | CHEBI:77746 | human metabolite |
| CHEBI has role | CHEBI:83056 | <em>Daphnia magna</em> metabolite |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.64 | acidic |
| pKa2 | 5.16 | Basic |
| pKa3 | 0.18 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | Enzyme | IC50 | 4.96 | CHEMBL | |||||
| Leucine-rich repeat serine/threonine-protein kinase 2 | Kinase | Ki | 5.17 | CHEMBL | |||||
| Phosphatidylinositol 4-kinase, PI4K | Kinase | Ki | 4.07 | CHEMBL |
| ID | Source |
|---|---|
| 4018883 | VUID |
| N0000147177 | NUI |
| D00034 | KEGG_DRUG |
| 290 | RXNORM |
| C0001407 | UMLSCUI |
| CHEBI:16708 | CHEBI |
| ADE | PDB_CHEM_ID |
| CHEMBL226345 | ChEMBL_ID |
| 190 | PUBCHEM_CID |
| DB00173 | DRUGBANK_ID |
| CHEMBL1797130 | ChEMBL_ID |
| D000225 | MESH_DESCRIPTOR_UI |
| 4788 | IUPHAR_LIGAND_ID |
| JAC85A2161 | UNII |
| 4018883 | VANDF |
| 005667 | NDDF |
| 70203000 | SNOMEDCT_US |
| JAC85A2161 | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-6305 | SOLUTION | 17.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-6307 | SOLUTION | 19.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-6308 | SOLUTION | 19.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-6312 | SOLUTION | 19.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | Human Prescription Drug Label | 5 | 0942-6316 | SOLUTION | 19.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-6320 | SOLUTION | 19.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-6322 | SOLUTION | 17.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-6326 | SOLUTION | 19.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-9393 | SOLUTION | 19.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-9394 | SOLUTION | 17.30 mg | INTRAVENOUS | NDA | 2 sections |
| CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 0942-9398 | SOLUTION | 17.30 mg | INTRAVENOUS | NDA | 2 sections |
| Additive Formula 3 | HUMAN PRESCRIPTION DRUG LABEL | 6 | 14537-824 | SOLUTION | 0.03 g | INTRAVENOUS | NDA | 15 sections |
| Additive Formula 3 | HUMAN PRESCRIPTION DRUG LABEL | 6 | 14537-826 | SOLUTION | 0.03 g | INTRAVENOUS | NDA | 15 sections |
| Additive Formula 3 | HUMAN PRESCRIPTION DRUG LABEL | 6 | 14537-828 | SOLUTION | 0.03 g | INTRAVENOUS | NDA | 15 sections |
| Additive Formula 3 | HUMAN PRESCRIPTION DRUG LABEL | 6 | 14537-832 | SOLUTION | 0.03 g | INTRAVENOUS | NDA | 15 sections |
| Additive Formula 3 | HUMAN PRESCRIPTION DRUG LABEL | 6 | 14537-833 | SOLUTION | 0.03 g | INTRAVENOUS | NDA | 15 sections |
| Additive Formula 3 | HUMAN PRESCRIPTION DRUG LABEL | 6 | 14537-834 | SOLUTION | 0.03 g | INTRAVENOUS | NDA | 15 sections |
| AS 3 | HUMAN PRESCRIPTION DRUG LABEL | 6 | 14537-966 | INJECTION, SOLUTION | 0.03 g | INTRAVENOUS | NDA | 5 sections |
| Rejuvesol | HUMAN PRESCRIPTION DRUG LABEL | 5 | 23731-7000 | SOLUTION | 0.03 g | EXTRACORPOREAL | NDA | 11 sections |
| Nutricel Additive Solution - AS-3 | HUMAN PRESCRIPTION DRUG LABEL | 2 | 53157-101 | SOLUTION | 0.03 g | INTRAVENOUS | NDA | 10 sections |
| Nutricel Additive Solution - AS-3 | HUMAN PRESCRIPTION DRUG LABEL | 2 | 53157-122 | SOLUTION | 0.03 g | INTRAVENOUS | NDA | 10 sections |
| Leukotrap WB System | HUMAN PRESCRIPTION DRUG LABEL | 5 | 53157-136 | SOLUTION | 0.02 g | INTRAVENOUS | NDA | 9 sections |
| Leukotrap WB System | HUMAN PRESCRIPTION DRUG LABEL | 5 | 53157-136 | SOLUTION | 0.02 g | INTRAVENOUS | NDA | 9 sections |
| Nutricel Additive System - AS3 | HUMAN PRESCRIPTION DRUG LABEL | 2 | 53157-AS3 | SOLUTION | 0.03 g | INTRAVENOUS | NDA | 11 sections |
| TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) | HUMAN PRESCRIPTION DRUG LABEL | 5 | 53877-001 | SOLUTION | 0.28 g | INTRAVENOUS | NDA | 7 sections |
| TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) | HUMAN PRESCRIPTION DRUG LABEL | 5 | 53877-001 | SOLUTION | 0.28 g | INTRAVENOUS | NDA | 7 sections |
| TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) | HUMAN PRESCRIPTION DRUG LABEL | 5 | 53877-001 | SOLUTION | 0.28 g | INTRAVENOUS | NDA | 7 sections |
| TERUFLEX Blood Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) for Collection of 450mL of Blood | HUMAN PRESCRIPTION DRUG LABEL | 5 | 53877-108 | SOLUTION | 0.28 g | INTRAVENOUS | NDA | 10 sections |
| TERUFLEX BLOOD with Diversion Blood Sampling Arm 70 mL CPDA-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 53877-109 | SOLUTION | 0.28 g | INTRAVENOUS | NDA | 10 sections |
| teruflex blood bag system with diversion blood sampling arm 70 ml cpda-1 | HUMAN PRESCRIPTION DRUG LABEL | 5 | 53877-110 | SOLUTION | 0.28 g | INTRAVENOUS | NDA | 10 sections |