ESKETAMINE

Search structure
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N01AX14
UNII: 50LFG02TXD

Structure
InChI Key YQEZLKZALYSWHR-ZDUSSCGKSA-N
Smile CN[C@]1(c2ccccc2Cl)CCCCC1=O
InChI
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/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H16ClNO
Molecular Weight 237.73
AlogP 2.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
NEGATIVE ALLOSTERIC MODULATOR Glutamate [NMDA] receptor negative allosteric modulator PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 11 - 300-960 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials
Rhinitis, Allergic, Seasonal 1 D006255 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 33643-46-8
ChEBI 60799
ChEMBL CHEMBL395091
DrugBank DB11823
DrugCentral 4468
EPA CompTox DTXSID6047810
FDA SRS 50LFG02TXD
Guide to Pharmacology 9152
PDB JC9
PubChem 182137
SureChEMBL SCHEMBL5512024
ZINC ZINC000035999642
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