Table 1. DrugCentral database entities and statistics.
| Entities (Annotated APIs) | |
|---|---|
| Active pharmaceutical ingredients | 4444 |
| FDA drugs | 2021 |
| Drugs approved outside US | 2423 |
| Small molecules | 3799 |
| Salts and inorganic molecules | 112 |
| Biologics and peptides | 239 |
| Other drugs | 294 |
| Parent molecules | 199 (308) |
| Drug efficacy targets | 837 (1689) |
| Human protein targets | 600 (1387) |
| Infectious agents targets | 194 (221) |
| Metabolites & biopolymers | 43 (89) |
| Protein–drug crystal complex (PDB) | 48 (82) |
| Drug–protein crystal complex (PDB) | 1452 (283) |
| Bioactivity data points | 13 825 (1792) |
| Human proteins | 10 427 (1605) |
| Other species | 3398 (1002) |
| Pharmacological action | |
| WHO ATC code | 4195 (2941) |
| FDA Established Pharmacologic Class | 428 (1165) |
| MeSH pharmacological action | 424 (2529) |
| ChEBI ontology roles | 285 (1487) |
| Drug indications | 2224 (2247) |
| Drug contra-indications | 1458 (1376) |
| Drug off-label uses | 847 (646) |
| Pharmaceutical products | 67 064 (1660) |
| Rx pharmaceutical products | 29 665 (1561) |
| OTC pharmaceutical products | 37 399 (286) |
| External identifiers | 61 349 (4444) |
| CAS registry number | 6072 (4444) |
| PubChem Compound Id | 4175 (4175) |
| FDA Unique Ingredient Identifier (UNII) | 4304 (4304) |
| ChEMBL-db id | 5615 (4075) |
| WHO INN id | 3519 (3519) |
| SNOMED-CT | 4745 (2637) |
| KEGG DRUG | 3501 (3501) |
| NDFRT | 4171 (2406) |
| RxNorm RxCUI | 2897 (2897) |
| IUPHAR/BPS ligand id | 1345 (1345) |
| UMLS CUI | 2839 (2839) |
| CHEBI | 2557 (2557) |
| MeSH | 4063 (3846) |
| DrugBank | 2473 (2388) |
| Protein databank ligand id | 646 (618) |