Table 1.
Differences in data content between DrugCentral 2021 and 2023 (current release)
| Entities (annotated drugs, or active pharmaceutical ingredients) | |||
|---|---|---|---|
| DrugCentral 2021 | DrugCentral 2023 | ||
| Human | Human | Veterinary | |
| Active pharmaceutical ingredients | 4642 | 4773 | 396 |
| FDA drugs | 2220 | 2331 | 396 |
| EMA drugs | 354 | 456 | n/a |
| PMDA drugs | 167 | 435 | n/a |
| Small molecules | 3876 | 3952 | 328 |
| Biologics and peptides | 315 | 364 | 21 |
| Other drugs | 395 | 457 | 47 |
| Parent molecules | 216 (332) | 220 (336) | 25 (35) |
| Off-patent status | 1553 | 1712 | 166 |
| OFP | 996 | 1029 | 119 |
| OFM | 320 | 398 | 46 |
| ONP | 237 | 285 | 1 |
| Drug efficacy targets | 872 (1760) | 927 (1883) | n/a |
| Human protein targets | 659 (1534) | 704 (1640) | n/a |
| Infectious agents targets | 212 (230) | 222 (248) | n/a |
| Protein–drug crystal complex (PDB) | 411 (165) | 608 (271) | n/a |
| All protein–drug crystal complex (PDB) | 5576 (799) | 9979 (1086) | 1270 (111) |
| Bioactivity data points | 16 843 (2052) | 18 830 (2214) | 1628 (193) |
| Human proteins | 12 373 (1837) | 13 9238 (1982) | 1055 (179) |
| Other species | 4470 (1235) | 4892 (1332) | 573 (135) |
| Pharmacological classification | |||
| WHO ATC code | 5067 (3082) | 5025 (3215) | 582 (208) |
| FDA Established Pharmacologic Class | 462 (1256) | 516 (1501) | 86 (141) |
| MeSH pharmacological action | 447 (2661) | 464 (2823) | 234 (301) |
| ChEBI ontology roles | 303 (1607) | 698 (2186) | 268 (242) |
| Drug indications | 2241 (2496) | 2437 (2644) | 1459 (377) |
| Drug contra-indications | 1415 (1399) | 1444 (1427) | n/a |
| Drug off-label uses | 794 (654) | 860 (666) | n/a |
| Pharmaceutical products | 108 035 (1810) | 137 693 (1885) | 1492 (377) |
| Rx pharmaceutical products | 56 515 (1697) | 64 704 (1744) | 849 (305) |
| OTC pharmaceutical products | 51 520 (319) | 72 986 (361) | 660 (130) |
| External identifiers | 63 658 (4639) | 78 928 (4773) | 7651 (396) |
| CAS registry number | 6350 (4642) | 6913 (4773) | 671 (396) |
| PubChem Compound Id | 4399 (4412) | 4590 (4529) | 399 (384) |
| FDA Unique Ingredient Identifier (UNII) | 4505 (4505) | 4844 (4715) | 405 (392) |
| ChEMBL-db id | 6473 (4469) | 6733 (4603) | 643 (375) |
| WHO INN id | 3700 (3700) | 3898 (3939) | 320 (323) |
| SNOMED-CT | 5193 (2910) | 6822 (3160) | 813 (341) |
| KEGG DRUG | 3697 (3698) | 3826 (3827) | 362 (383) |
| NDFRT | 3464 (3314) | 5189 (3595) | 503 (296) |
| RxNorm RxCUI | 3107 (3110) | 3267 (3348) | 346 (352) |
| IUPHAR/BPS ligand id | 1599 (1599) | 1917 (1893) | 157 (156) |
| UMLS CUI | 2835 (2835) | 4801 (4727) | 409 (395) |
| CHEBI | 3855 (3861) | 4045 (4038) | 294 (291) |
| MeSH | 4299 (4056) | 4494 (4279) | 422 (378) |
| DrugBank | 3685 (3699) | 3939 (3933) | 375 (364) |
| Protein Databank ligand id | 695 (659) | 1093 (1154) | 110 (120) |