DQP-1105   

GtoPdb Ligand ID: 7843

Synonyms: KB-272091
Compound class: Synthetic organic
Comment: DQP-1105 is a negative allosteric modulator of the GluN2C/D NMDA receptor inhibiting receptor function more potently when glutamate (but not glycine) is present [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 99.4
Molecular weight 557.1
XLogP 5.53
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)C1C(=O)N=c2c(=C1c1ccccc1)cc(cc2)C
Isomeric SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)C1C(=O)N=c2c(=C1c1ccccc1)cc(cc2)C
InChI InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24,28H,13-14,16H2,1H3,(H,35,36)
InChI Key ACUGSRUCGXYFTL-UHFFFAOYSA-N
Bioactivity Comments
DQP-1105 is approximately 50-fold selective for GluN2C or GluN2D subunit-containing NMDA receptors compared to GluN2A- or GluN2B-containing receptors [1].
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GluN2C Rn Allosteric modulator Negative 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
Description: Measured using recombinant GluN1-1a NMDA subunits co-expressed with GluN2C subunits.
GluN2B Rn Allosteric modulator Negative 6.9 pIC50 - 1
pIC50 6.9 (IC50 1.13x10-7 M) [1]
Description: Measured using recombinant GluN1-1a NMDA subunits co-expressed with GluN2C subunits.
GluN2D Rn Allosteric modulator Negative 5.6 pIC50 - 1
pIC50 5.6 (IC50 2.7x10-6 M) [1]
Description: Measured using recombinant GluN1-1a NMDA subunits co-expressed with GluN2D subunits.