Drug Central

Drugcentral 2023 NAR Article

The Latest in Chemistry in Coronavirus Research

Drugs in the News

Makena Venetoclax Dapagliflozin KEYTRUDA Sacubitril LORBRENA Hydroxychloroquine

DrugCentral Search Overview

Drug search example:

Generic drug names, drug synonyms, trade names terms can be used to search for drugs. Example search for Lipitor can query using either “Atorvastatin” or “Lipitor”.A comprehensive list of drug development codes and salt or ester forms are also stored in the database and can be used as search terms, for example search for "rosuvastatin" the following terms can be used: "rosuvastatin calcium" or "ZD4522".

Disease search example:

Supported disease terms are SNOMED-CT and OMOP vocabulary terms. Disease annotations for drugs approved before 2012 originate from OMOP vocabulary mappings. For drugs approved after 2012 disease annotations are extracted manually from approved drug labels and mapped to SNOMED-CT concepts.

Example search for “Chronic Hepatitis C” returns the list of antiviral drugs indicated to treat “Chronic Hepatitis C” followed by drugs contra-indicated in hepatitis C.

New! Medical (off label) uses suggestion form
Off label Uses Form
New! Substructure Search:
The current update supports chemical substructure searching. Typing a SMILES string in the DrugCentral Substructure search bar launches a chemical substructure search that finds matching compounds in DrugCentral. E.g., N1cnccc1 . SMILES strings can be located on all Drug Cards under "Description".

New! FDA Adverse Event Reporting System:
The 2021 DrugCentral update, we separately calculated FAERS for men and women to enable research on sex differences in drug safety. The 2022 version goes further by computing adverse drug event scores granulated by age: pediatric data (FAERS_PED) covers patients from 1 day to 17 years, and geriatric data (FAERS_GER) focuses on elderly patients over 65 years of age, respectively. Female, Male, Geriatric & Pediatrics. E.g., amfetamine

New! Target Cards:
To perform a target card search enter a Uniprot target Accession ID e.g., P23975. The target cards depict the "Accession", "Swissprot", "Organism", "Gene" & "Target class" followed by "Drug relations" where the drugs "Bioactivity mechanism-of-actions" are identified.

Target search example:
Supported target search terms are HUGO gene symbols, Uniprot accessions and target names, and Swissprot identifiers. Example search for drugs targeting Mu-type opioid receptor can be run using either of the terms: “OPRM1”, P35372, “OPRM_HUMAN”, full or partial Uniprot target name. Returned drugs are ranked using the following criteria: top ranked drugs have mechanism of action target Mu-type opioid receptor, next in the list are drugs with potencies measured against this receptor.

In collaboration with the IDG
New! Veterinary Drugs, Uses & Products:

Drug Central now contains Veterinary Drugs, Uses & Products. The current update adds 1805 bioactivities for 226 veterinary drugs and 804 targets. DrugCentral veterinary data contains application numbers and types, trade names, applicant names, and prescription types for 1492 drug products as referenced in FDA’s Green Book. DrugCentral currently holds 1664 indications (pairs of drug and concept names) for 34 species. Dogs, cattle, and cats sum up to 63% of the indications covered by 193 veterinary drugs. Veterinary Drug Use can be found on each drug card by selecting the sub menu link: 🐶 Veterinary Use on the drug card. E.g., enrofloxacin
Pharmacologic action search example:

Supported pharmacologic action terms are MeSH, FDA [EPC, MoA, PE], ChEBI action roles.

Example search for “HMG-CoA Reductase Inhibitor” FDA EPC term for statin drugs returns list of all statin drugs classified by FDA as HMG-CoA reductase inhibitors.

Ranked result list is annotated with 4 level ranking system ordered from highest to lowest:

A - query term matched drug name or synonyms, mechanism of action target, or drug indication.

B - query term matched disease term in drug contraindications or off-label uses, targets listed in drug bioactivity profiles (not MoA targets), or pharmacologic action descriptions.

C - query term matched short drug description text.

D - query term matched full text in FDA drug labels.

salicylamide
salamidacetic acid
acetylsalicylic acid	The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5)
caffeine	A methylxanthine naturally occurring in some beverages and also used as a pharmacological agent. Caffeine's most notable pharmacological effect is as a central nervous system stimulant, increasing alertness and producing agitation. It also relaxes SMOOTH MUSCLE, stimulates CARDIAC MUSCLE, stimulates DIURESIS, and appears to be useful in the treatment of some types of headache. Several cellular actions of caffeine have been observed, but it is not entirely clear how each contributes to its pharmacological profile. Among the most important are inhibition of cyclic nucleotide PHOSPHODIESTERASES, antagonism of ADENOSINE RECEPTORS, and modulation of intracellular calcium handling.
paracetamol	Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.
magnesium salicylate
nitazoxanide	a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrug; structure given in first source. It was investigated as a potential treatment for COVID-19 based on its broad antiviral activity, including in vitro activity against SARS-CoV-2 and MERS-CoV; however, there are no data to support the use of nitazoxanide in the treatment of COVID-19.
bromochlorosalicylanilide
flusalan
labetalol	A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.

Featured News

Drugcentral 2023 NAR Article

The Latest in Chemistry in Coronavirus Research

Drugs in the News

Makena Venetoclax Dapagliflozin KEYTRUDA Sacubitril LORBRENA Hydroxychloroquine

DrugCentral Search Overview

Drug search example:

Disease search example:

Supported disease terms are SNOMED-CT and OMOP vocabulary terms. Disease annotations for drugs approved before 2012 originate from OMOP vocabulary mappings. For drugs approved after 2012 disease annotations are extracted manually from approved drug labels and mapped to SNOMED-CT concepts.

Example search for “Chronic Hepatitis C” returns the list of antiviral drugs indicated to treat “Chronic Hepatitis C” followed by drugs contra-indicated in hepatitis C.

New! Medical (off label) uses suggestion form

New! Target Cards:
To perform a target card search enter a Uniprot target Accession ID e.g., P23975. The target cards depict the "Accession", "Swissprot", "Organism", "Gene" & "Target class" followed by "Drug relations" where the drugs "Bioactivity mechanism-of-actions" are identified.

Target search example:

New! Veterinary Drugs, Uses & Products:

Pharmacologic action search example:

Supported pharmacologic action terms are MeSH, FDA [EPC, MoA, PE], ChEBI action roles.

Example search for “HMG-CoA Reductase Inhibitor” FDA EPC term for statin drugs returns list of all statin drugs classified by FDA as HMG-CoA reductase inhibitors.

Ranked result list is annotated with 4 level ranking system ordered from highest to lowest:

A - query term matched drug name or synonyms, mechanism of action target, or drug indication.

B - query term matched disease term in drug contraindications or off-label uses, targets listed in drug bioactivity profiles (not MoA targets), or pharmacologic action descriptions.

C - query term matched short drug description text.

D - query term matched full text in FDA drug labels.

Featured News

Drugcentral 2023 NAR Article The Latest in Chemistry in Coronavirus Research

Drugs in the News

Makena Venetoclax Dapagliflozin KEYTRUDA Sacubitril LORBRENA Hydroxychloroquine

DrugCentral Search Overview

Drug search example:

Disease search example:

Supported disease terms are SNOMED-CT and OMOP vocabulary terms. Disease annotations for drugs approved before 2012 originate from OMOP vocabulary mappings. For drugs approved after 2012 disease annotations are extracted manually from approved drug labels and mapped to SNOMED-CT concepts.

Example search for “Chronic Hepatitis C” returns the list of antiviral drugs indicated to treat “Chronic Hepatitis C” followed by drugs contra-indicated in hepatitis C.

New! Medical (off label) uses suggestion form

New! Target Cards: To perform a target card search enter a Uniprot target Accession ID e.g., P23975. The target cards depict the "Accession", "Swissprot", "Organism", "Gene" & "Target class" followed by "Drug relations" where the drugs "Bioactivity mechanism-of-actions" are identified.

Target search example:

New! Veterinary Drugs, Uses & Products:

Pharmacologic action search example:

Supported pharmacologic action terms are MeSH, FDA [EPC, MoA, PE], ChEBI action roles.

Example search for “HMG-CoA Reductase Inhibitor” FDA EPC term for statin drugs returns list of all statin drugs classified by FDA as HMG-CoA reductase inhibitors.

Ranked result list is annotated with 4 level ranking system ordered from highest to lowest:

A - query term matched drug name or synonyms, mechanism of action target, or drug indication.

B - query term matched disease term in drug contraindications or off-label uses, targets listed in drug bioactivity profiles (not MoA targets), or pharmacologic action descriptions.

C - query term matched short drug description text.

D - query term matched full text in FDA drug labels.

Drugcentral 2023 NAR Article

The Latest in Chemistry in Coronavirus Research

New! Target Cards:
To perform a target card search enter a Uniprot target Accession ID e.g., P23975. The target cards depict the "Accession", "Swissprot", "Organism", "Gene" & "Target class" followed by "Drug relations" where the drugs "Bioactivity mechanism-of-actions" are identified.