25 relations: Amphetamine, Atom, ChEMBL, Chemical compound, Chemical structure, Controlled Substances Act, Derivative (chemistry), Designer drug, Drug discovery, DrugBank, Federal Analogue Act, Functional analog (chemistry), Functional group, Homology (chemistry), Illegal drug trade, Isoelectronicity, Lead compound, Methamphetamine, Methanol, Phenethylamine, Silanol, Structure–activity relationship, Substituted phenethylamine, Transition state analog, Virtual screening.
Amphetamine (contracted from) is a potent central nervous system (CNS) stimulant that is used in the treatment of attention deficit hyperactivity disorder (ADHD), narcolepsy, and obesity.
An atom is the smallest constituent unit of ordinary matter that has the properties of a chemical element.
ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug-like properties.
A chemical compound is a chemical substance composed of many identical molecules (or molecular entities) composed of atoms from more than one element held together by chemical bonds.
A chemical structure determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid.
The Controlled Substances Act (CSA) is the statute establishing federal U.S. drug policy under which the manufacture, importation, possession, use, and distribution of certain substances is regulated.
In chemistry, a derivative is a compound that is derived from a similar compound by a chemical reaction.
A designer drug is a structural or functional analog of a controlled substance that has been designed to mimic the pharmacological effects of the original drug, while avoiding classification as illegal and/or detection in standard drug tests.
In the fields of medicine, biotechnology and pharmacology, drug discovery is the process by which new candidate medications are discovered.
The DrugBank database is a comprehensive, freely accessible, online database containing information on drugs and drug targets.
The Federal Analogue Act,, is a section of the United States Controlled Substances Act passed in 1986 which allowed any chemical "substantially similar" to a controlled substance listed in Schedule I or II to be treated as if it were also listed in those schedules, but only if intended for human consumption.
In chemistry and pharmacology, functional analogs are chemical compounds that have similar physical, chemical, biochemical, or pharmacological properties.
In organic chemistry, functional groups are specific substituents or moieties within molecules that are responsible for the characteristic chemical reactions of those molecules.
In chemistry, homology is the appearance of homologues.
The illegal drug trade or drug trafficking is a global black market dedicated to the cultivation, manufacture, distribution and sale of drugs that are subject to drug prohibition laws.
Isoelectronicity is the phenomenon of two or more chemical species (atoms, molecules, radicals, ions etc.) differing in the atoms that comprise them but having the same number of valence electrons and the same structure (that is, the same number of atoms with the same connectivity).
A lead compound (i.e. a "leading" compound, not to be confused with various compounds of the metallic element lead) in drug discovery is a chemical compound that has pharmacological or biological activity likely to be therapeutically useful, but may nevertheless have suboptimal structure that requires modification to fit better to the target; lead drugs offer the prospect of being followed by back-up compounds.
Methamphetamine (contracted from) is a potent central nervous system (CNS) stimulant that is mainly used as a recreational drug and less commonly as a second-line treatment for attention deficit hyperactivity disorder and obesity.
Methanol, also known as methyl alcohol among others, is a chemical with the formula CH3OH (a methyl group linked to a hydroxyl group, often abbreviated MeOH).
Phenethylamine (PEA) is an organic compound, natural monoamine alkaloid, and trace amine which acts as a central nervous system stimulant in humans.
A silanol is a functional group in silicon chemistry with the connectivity Si–O–H.
commented out as it doesn't appear to be immediately relevant & it is in the wrong place if it is relevant-->The structure–activity relationship (SAR) is the relationship between the chemical or 3D structure of a molecule and its biological activity.
Substituted phenethylamines (or simply phenethylamines) are a chemical class of organic compounds that are based upon the phenethylamine structure; the class is composed of all the derivative compounds of phenethylamine which can be formed by replacing, or substituting, one or more hydrogen atoms in the phenethylamine core structure with substituents.
Transition state analogs (transition state analogues), are chemical compounds with a chemical structure that resembles the transition state of a substrate molecule in an enzyme-catalyzed chemical reaction.
Virtual screening (VS) is a computational technique used in drug discovery to search libraries of small molecules in order to identify those structures which are most likely to bind to a drug target, typically a protein receptor or enzyme.