Structure

InChI Key LDDHMLJTFXJGPI-UHFFFAOYSA-N
Smiles CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl
InChI
InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22ClN
Molecular Weight 215.77
AlogP 2.69
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Glutamate [NMDA] receptor negative allosteric modulator NEGATIVE ALLOSTERIC MODULATOR FDA Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.64-88.95

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

Cross References

Resources Reference
ChEBI 64323
ChEMBL CHEMBL1699
FDA SRS JY0WD0UA60
Guide to Pharmacology 4253
KEGG C13736
PubChem 181458
SureChEMBL SCHEMBL3053
ZINC ZINC12402582