Molecule Details
| InChIKey | YQEZLKZALYSWHR-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ketamine |
| Canonical SMILES | CNC1(c2ccccc2Cl)CCCCC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.75 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01221 |
|---|---|
| Drug Name | Ketamine |
| CAS Number | 6740-88-1 |
| Groups | approved investigational vet_approved |
| ATC Codes | N01AX03 |
| Description | Ketamine is an NMDA receptor antagonist with a potent anesthetic effect.[A31869] It was developed in 1963 as a replacement for phencyclidine (PCP) by Calvin Stevens at Parke Davis Laboratories. It started being used for veterinary purposes in Belgium and in 1964 was proven that compared to PCP, it p... |
Categories: Agents producing tachycardia Amino Acids Amino Acids, Acidic Amino Acids, Dicarboxylic Amino Acids, Peptides, and Proteins Analgesics Anesthetics Anesthetics, Dissociative Anesthetics, General Anesthetics, Intravenous Central Nervous System Agents Central Nervous System Depressants Cholinesterase Inhibitors Cyclohexanes Cycloparaffins Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Excitatory Amino Acid Agents Excitatory Amino Acid Agonists Excitatory Amino Acid Antagonists Miscellaneous General Anesthetics N-Methylaspartate, agonists N-Methylaspartate, antagonists & inhibitors NMDA Receptor Antagonists Nervous System Neurotransmitter Agents Peripheral Nervous System Agents Sensory System Agents Vasodilating Agents
Cross-references: BindingDB: 50044140 ChEBI: 6121 CHEMBL742 ChemSpider: 3689 Drugs Product Database (DPD): 11190 C07525 D08098 PharmGKB: PA450144 PubChem:3821 PubChem:46508295 RxCUI: 6130 Therapeutic Targets Database: DAP001148 Wikipedia: Ketamine
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15399 | GRIN2D | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.8 | Ki | ChEMBL |
| O60391 | GRIN3B | Homo sapiens | Human | PF00060 PF10613 | 6.8 | Ki | ChEMBL |
| Q05586 | GRIN1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.8 | Ki | ChEMBL |
| Q12879 | GRIN2A | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.8 | Ki | ChEMBL |
| Q13224 | GRIN2B | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.8 | Ki | ChEMBL |
| Q14957 | GRIN2C | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.8 | Ki | ChEMBL |
| Q8TCU5 | GRIN3A | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.8 | Ki | ChEMBL |
DrugBank Target Actions (21)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | substrate | enzymes |
| P14416 | DRD2 | D(2) dopamine receptor | agonist | targets |
| P41145 | OPRK1 | Kappa-type opioid receptor | agonist | targets |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1 | antagonist | targets |
| P25103 | TACR1 | Substance-P receptor | antagonist | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2 | antagonist | targets |
| P36544 | CHRNA7 | Neuronal acetylcholine receptor subunit alpha-7 | antagonist | targets |
| Q8TCU5 | GRIN3A | Glutamate receptor ionotropic, NMDA 3A | antagonist | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor | binder | targets |
| P35372 | OPRM1 | Mu-type opioid receptor | binder | targets |
| P41143 | OPRD1 | Delta-type opioid receptor | binder | targets |
| P06276 | BCHE | Cholinesterase | inhibitor | targets |
| P23975 | SLC6A2 | Sodium-dependent noradrenaline transporter | inhibitor | targets |
| P29475 | NOS1 | Nitric oxide synthase 1 | inhibitor | targets |
| P14416 | DRD2 | D(2) dopamine receptor | partial agonist | targets |
| P46098 | HTR3A | 5-hydroxytryptamine receptor 3A | potentiator | targets |