CT1812   Click here for help

GtoPdb Ligand ID: 13335

Synonyms: compiund 7 [PMID: 34531947] | CT-1812 | Elayta
Compound class: Synthetic organic
Comment: CT1812 is an orally bioactive, brain-penetrant sigma 2 (σ2) receptor complex allosteric antagonist [3]. In a phenotypic neuronal assay it reduced the synaptotoxic effects of amyloid β .oligomers. CT1812 was subsequently found to bind the σ2 receptor complex at the progesterone receptor membrane component 1 subunit and to displace amyloid β which is then disposed of via the cerebrospinal fluid [2]. In a transgenic mouse model of Alzheimer's disease CT1812 demonstrated some improvement in cognitive function.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 75.22
Molecular weight 431.59
XLogP 2.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(C)(C)OC1=CC(=CC=C1O)CCC(C)(C)N2CC3=CC=C(C=C3C2)S(=O)(=O)C
Isomeric SMILES CC(C)(C)OC1=C(C=CC(=C1)CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)C)O
InChI InChI=1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3
InChI Key ISQAPFMBJFZOLG-UHFFFAOYSA-N
References
1. Izzo NJ, Yuede CM, LaBarbera KM, Limegrover CS, Rehak C, Yurko R, Waybright L, Look G, Rishton G, Safferstein H et al.. (2021)
Preclinical and clinical biomarker studies of CT1812: A novel approach to Alzheimer's disease modification.
Alzheimers Dement, 17 (8): 1365-1382. [PMID:33559354]
2. Rasheed A, Zaheer AB, Munawwar A, Sarfraz Z, Sarfraz A, Robles-Velasco K, Cherrez-Ojeda I. (2022)
The Allosteric Antagonist of the Sigma-2 Receptors-Elayta (CT1812) as a Therapeutic Candidate for Mild to Moderate Alzheimer's Disease: A Scoping Systematic Review.
Life (Basel), 13 (1). [PMID:36675950]
3. Rishton GM, Look GC, Ni ZJ, Zhang J, Wang Y, Huang Y, Wu X, Izzo NJ, LaBarbera KM, Limegrover CS et al.. (2021)
Discovery of Investigational Drug CT1812, an Antagonist of the Sigma-2 Receptor Complex for Alzheimer's Disease.
ACS Med Chem Lett, 12 (9): 1389-1395. [PMID:34531947]