InChIKey	ZPUCINDJVBIVPJ-LJISPDSOSA-N
Compound Name	Cocaine
Canonical SMILES	COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	6.95
Source	BindingDB;ChEMBL

DrugBank ID	DB00907
Drug Name	Cocaine
CAS Number	50-36-2
Groups	approved illicit investigational
ATC Codes	S01HA01 S02DA02 N01BC01 R02AD03
Description	An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of...

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Categories: Agents producing tachycardia Agents that reduce seizure threshold Alkaloids Analgesics and Anesthetics Anesthetics Anesthetics, Local Anticholinergic Agents Aza Compounds Azabicyclo Compounds Cardiovascular Agents Central Nervous System Agents Central Nervous System Stimulants Cholinesterase substrates Cocaine, antagonists & inhibitors Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Dopamine Uptake Inhibitors Esters of Benzoic Acid Highest Risk QTc-Prolonging Agents Local Anesthetics (Ester) Membrane Transport Modulators Muscarinic Antagonists Nervous System Neurotransmitter Agents Neurotransmitter Uptake Inhibitors OCT2 Inhibitors Ophthalmologicals QTc Prolonging Agents Sensory Organs Sensory System Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Throat Preparations Tropanes Vasoconstrictor Agents

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Cross-references: BindingDB: 86207 ChEBI: 27958 CHEMBL370805 ChemSpider: 10194104 Drugs Product Database (DPD): 20241 Guide to Pharmacology: 2286 IUPHAR: 2286 C01416 D00110 PDB: COC PharmGKB: PA449072 PubChem:446220 PubChem:46506326 RxCUI: 2653 Therapeutic Targets Database: DAP000834 Wikipedia: Cocaine ZINC: ZINC000003875336