Drug Details

General Information of the Drug (ID: DR5623)
Name
Ketamine
Synonyms
ketamine; Ketaject; Ketalar; dl-Ketamine; CI 581 base; Special K; (+-)-Ketamine; Ketaminum; CLSTA 20; Ketanest; 6740-88-1; Ketalar base; 2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone; (+/-)-Ketamine; KETAMINE HCL; 2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone; Ketolar; 2-(o-Chlorophenyl)-2-(methylamino)-cyclohexanone; 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one; NSC 70151; CHEMBL742; CHEBI:6121; Calypsol; 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone; 2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-; NSC-70151; 100477-72-3; DEA No. 7285; NCGC00159480-02; NCGC00159480-03; Cetamina; Ketamine Base; Ketamine [INN:BAN]; DSSTox_CID_3187; Ketaminum [INN-Latin]; Cetamina [INN-Spanish]; DSSTox_RID_76912; Special K [street name]; DSSTox_GSID_23187; Ketoject; Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+-)- (9CI); Ketamine (INN); PMI-150; CAS-6740-88-1; Tekam (TN); EINECS 229-804-1; (+/-)-2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone; BRN 2216965; ketamina; HSDB 2180; Ketolar (Salt/Mix); Vetalar (Salt/Mix); Kalipsol (Salt/Mix); Ketanest (Salt/Mix); Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+-)-; (.+/-.)-Ketamine; EC 229-804-1; Cyclohexanone, (.+-.)-; SCHEMBL16103; MLS001331674; DivK1c_000217; cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-; GTPL4233; (+/-)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone; DTXSID8023187; SCHEMBL17084881; KBio1_000217; NINDS_000217; HMS2272G05; NSC70151; Tox21_111703; Tox21_111704; BDBM50044140; DB01221; MCULE-4905246871; IDI1_000217; SMR000238141; C07525; D08098; Q243547; 2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone #; J-505587; (.+/-.)-2-(O-Chlorophenyl)-2-(methylamino)cyclohexanone; 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone(Ketamine); Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)- (9CI); Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+/-)-; Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (.+/-.)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (.+/-.)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+/-)- (8CI)
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Molecular Type
Small molecule
Disease Corneal disease [ICD-11: 9A78] Approved [1]
Structure
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2D MOL

3D MOL

ADMET Property
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 0.75 mg/L
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability
Bioavailability
The bioavailability of drug is 93%
Clearance
The clearance of drug is 1.36 L/h/kg
Elimination
Pharmacokinetic studies have resulted in the recovery of 85-95% of the administered dose in urine mainly in the form of metabolites
Half-life
The concentration or amount of drug in body reduced by one-half in 186 minutes
Metabolism
The drug is metabolized via the hepatic
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 8.41285 micromolar/kg/day
Unbound Fraction
The unbound fraction of drug in plasma is 0.47%
Vd
The volume of distribution (Vd) of drug is 0.3713 L/kg
Water Solubility
The ability of drug to dissolve in water is measured as 200 mg/mL
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    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C13H16ClNO
PubChem CID
3821
Canonical SMILES
CNC1(CCCCC1=O)C2=CC=CC=C2Cl
InChI
1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKey
YQEZLKZALYSWHR-UHFFFAOYSA-N
CAS Number
CAS 6740-88-1
ChEBI ID
CHEBI:6121
TTD Drug ID
D0UM7O
DrugBank ID
DB01221
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Magnesium      Magnesite     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model A total of one hundred and seventy-four Wistar rats (200-250 g) were used in the entire study.
                    Experimental
                    Result(s)		 Fixed low dose of magnesium sulfate enhanced the temperature lowering effect of ketamine on baseline body temperature and morphine-induced hyperthermia.
Target and Pathway
Target(s) N-methyl-D-aspartate receptor (NMDAR)  Molecule Info  [3]
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4233).
Reference 2 Synergistic interaction between ketamine and magnesium in lowering body temperature in rats. Physiol Behav. 2014 Mar 29;127:45-53.
Reference 3 Ketamine modulates theta and gamma oscillations. J Cogn Neurosci. 2010 Jul;22(7):1452-64.
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