Macs in Chemistry

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DrugBank 3.0

DrugBank (http://www.drugbank.ca) is a richly annotated database of drug and drug target information. It contains extensive data on the nomenclature, ontology, chemistry, structure, function, action, pharmacology, pharmacokinetics, metabolism and pharmaceutical properties of both small molecule and large molecule drugs. As the table below shows the amount of information available in DrugBank has increased considerably since the first version. For Safari users this information is instantly available using the DrugBank Safari extension.
Comparison between the coverage in DrugBank 1.0, 2.0 and DrugBank 3.0

Category
1.0
2.0
3.0
No. of data fields
88
108
148
No. of search types
8
12
16
No. of drug-action pathways
0
0
223
No. of drugs with metabolizing enzyme data
0
0
762
No. of drug metabolites
0
0
811
No. of drugs with drug transporter data
0
0
516
No. of SNP-associated drug effects
0
0
113
No. of drugs with patent/pricing/manufacturer data
0
0
1208
No. of food–drug interactions
0
714
1039
No. of drug–drug interactions
0
13242
13795
No. of ADMET parameters (Caco-2, LogS)
0
276
890
No. of QSAR parameters per drug
5
6
14
No. of FDA-approved small molecule drugs
841
1344
1424
No. of biotech drugs
113
123
132
No. of nutraceutical drugs
61
69
82
No. of withdrawn drugs
0
57
68
No. of illicit drugs
0
188
189
No. of experimental drugs
2894
3116
5210
Total No. of experimental and FDA small molecule drugs
3796
4774
6684
Total No. of experimental and FDA drugs
3909
4897
6816
No. of names/brands/synonyms
18304
28447
37171
No. of approved-drug drug targets (unique)
524
1565
1768
No. of all drug targets (unique)
2133
3037
4326
No. of approved-drug enzymes/carriers (unique)
0
0
164
No. of all drug enzymes/carriers (unique)
0
0
169
No. of external database links
12
18
31
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