Structure

InChI Key YQEZLKZALYSWHR-ZDUSSCGKSA-N
Smiles 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

Mechanism of Action Action Reference
Glutamate [NMDA] receptor negative allosteric modulator 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
- 11.4-640 - 300-960 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 108-419 -
Homo sapiens
- 11.4 - - -
Rattus norvegicus
- 640 - 300-960 -
Sus scrofa
- - - 383 -

Target Conservation

Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 2D

Organism : Homo sapiens

O15399 ENSG00000105464
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 3B

Organism : Homo sapiens

O60391 ENSG00000116032
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 1

Organism : Homo sapiens

Q05586 ENSG00000176884
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 2A

Organism : Homo sapiens

Q12879 ENSG00000183454
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 2B

Organism : Homo sapiens

Q13224 ENSG00000273079
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 2C

Organism : Homo sapiens

Q14957 ENSG00000161509
Protein: Glutamate [NMDA] receptor

Description: Glutamate receptor ionotropic, NMDA 3A

Organism : Homo sapiens

Q8TCU5 ENSG00000198785

Related Entries

Cross References

Resources Reference
ChEBI 60799
ChEMBL CHEMBL395091
DrugBank DB11823
DrugCentral 4468
FDA SRS 50LFG02TXD
Guide to Pharmacology 9152
PDB JC9
PubChem 182137
SureChEMBL SCHEMBL5512024
ZINC ZINC000035999642