• Search for Compounds

    There are different options to search for compounds.
    • Search for a specific compound by pubchem identifier, IUPAC or smiles, name or pre- or suffix of names like for example "caps" for "capsaicin" (Compound Properties)
    • Search for specific features like receptor affinities, half maximal inhibitory concentration, molweight, rotatable bonds or purchasability.(Feature Selection)
    • Draw your own structure and perform a similarity or substructure search
      (Substructure/Similarity Search)
    On the Results page a similarity search can be performed.

    Compound Properties

    Name: e.g. capsaicin
    Pubchem ID: e.g. 72503
    IUPAC: e.g. 3-prop-2-enylsulfanylprop-1-ene
    Smiles: e.g. S(=O)(=O)NC(=O)NCCC
    Target:

    Feature selection



    The ATC tree was introduced by the WHO and lists drugs according to their Anatomical, Therapeutic and Chemical properties in different groups.
    If you are interested in drugs targeting ion channels, the pain-related ATC tree could be helpful. Click on the category you are interested in (e.g. N - Nervous System) and choose between Anesthetics, Antiepileptics, Psycholeptics which are used in the treatment of (neuropathic) pain. Click on a sub-branch (e.g. N01 - Anesthetics) and a page with drugs of this group with detailed information on channels opens.

    • Pain-related ATC-Tree
      • A - Alimentary Tract And Metabolism
        • A01 Stomatological Preparations (1)
          • A01A Stomatological Preparations (1)
            • A01AD Other agents for local oral treatment (1)
        • A03 Drugs For Functional Gastrointestinal Disorders (4)
        • A04 Antiemetics And Antinauseants (2)
          • A04A Antiemetics And Antinauseants (2)
        • A08 Antiobesity Preparations, Excl. Diet Products (1)
          • A08A Antiobesity Preparations, Excl. Diet Products (1)
        • A10 Drugs Used In Diabetes (3)
          • A10B Blood Glucose Lowering Drugs, Excl. Insulins (3)
      • C - Cardiovascular System
        • C01 Cardiac Therapy (19)
        • C03 Diuretics (1)
          • C03D Potassium-sparing Agents (1)
            • C03DB Other potassium-sparing agents (1)
        • C04 Peripheral Vasodilators (1)
          • C04A Peripheral Vasodilators (1)
            • C04AX Other peripheral vasodilators (1)
        • C05 Vasoprotectives (5)
        • C07 Beta Blocking Agents (2)
          • C07A Beta Blocking Agents (2)
            • C07AA Beta blocking agents, non-selective (1)
            • C07AG Alpha and beta blocking agents (1)
        • C08 Calcium Channel Blockers (9)
          • C08C Selective Calcium Channel Blockers With Mainly Vascular Effects (6)
          • C08D Selective Calcium Channel Blockers With Direct Cardiac Effects (1)
          • C08E Non-selective Calcium Channel Blockers (2)
            • C08EA Phenylalkylamine derivatives (1)
            • C08EX Other non-selective calcium channel blockers (1)
      • D - Dermatologicals
        • D01 Antifungals For Dermatological Use (1)
          • D01A Antifungals For Topical Use (1)
            • D01AC Imidazole and triazole derivatives (1)
        • D02 Emollients And Protectives (1)
          • D02B Protectives Against Uv-radiation (1)
            • D02BA Protectives against UV-radiation for topical use (1)
        • D04 Antipruritics, Incl. Antihistamines, Anesthetics, Etc. (8)
        • D10 Anti-acne Preparations (1)
          • D10A Anti-acne Preparations For Topical Use (1)
            • D10AF Antiinfectives for treatment of acne (1)
        • D11 Other Dermatological Preparations (1)
          • D11A Other Dermatological Preparations (1)
      • G - Genito Urinary System And Sex Hormones
        • G01 Gynecological Antiinfectives And Antiseptics (1)
          • G01A Antiinfectives And Antiseptics, Excl. Combinations With Corticosteroids (1)
        • G04 Urologicals (1)
          • G04B Other Urologicals, Incl. Antispasmodics (1)
            • G04BE Drugs used in erectile dysfunction (1)
      • J - Antiinfectives For Systemic Use
        • J01 Antibacterials For Systemic Use (7)
        • J02 Antimycotics For Systemic Use (1)
          • J02A Antimycotics For Systemic Use (1)
      • L - Antineoplastic And Immunomodulating Agents
      • M - Musculo-skeletal System
        • M01 Antiinflammatory And Antirheumatic Products (2)
          • M01A Antiinflammatory And Antirheumatic Products, Non-steroids (2)
        • M02 Topical Products For Joint And Muscular Pain (3)
          • M02A Topical Products For Joint And Muscular Pain (3)
            • M02AA Antiinflammatory preparations, non-steroids for topical use (1)
            • M02AB Capsaicin and similar agents (2)
      • N - Nervous System
      • P - Antiparasitic Products, Insecticides And Repellents
        • P01 Antiprotozoals (4)
        • P03 Ectoparasiticides, Incl. Scabicides, Insecticides And Repellents (1)
          • P03A Ectoparasiticides, Incl. Scabicides (1)
      • R - Respiratory System
        • R02 Throat Preparations (1)
        • R03 Drugs For Obstructive Airway Diseases (2)
          • R03D Other Systemic Drugs For Obstructive Airway Diseases (2)
        • R05 Cough And Cold Preparations (1)
          • R05C Expectorants, Excl. Combinations With Cough Suppressants (1)
        • R06 Antihistamines For Systemic Use (13)
      • S - Sensory Organs