SAGE-718   Click here for help

GtoPdb Ligand ID: 12050

Synonyms: compound 5 [PMID: 35785990] [1] | SAGE718
Compound class: Synthetic organic
Comment: SAGE-718 is a positive allosteric modulator (PAM) of N-Methyl-D-aspartate (NMDA) receptors that was designed as a potential treatment for cognitive impairment [1]. Its pharmacokinetics support oral dosing.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 40.46
Molecular weight 456.32
XLogP 9.4
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@](C2)(C)O)CC[C@@](C(F)(F)F)(O)C
Isomeric SMILES C[C@H](CC[C@@](C)(C(F)(F)F)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC=C2[C@@]1(CC[C@](C2)(C)O)C)C
InChI InChI=1S/C27H43F3O2/c1-17(10-13-26(5,32)27(28,29)30)20-8-9-21-19-7-6-18-16-23(2,31)14-15-24(18,3)22(19)11-12-25(20,21)4/h6,17,19-22,31-32H,7-16H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,25-,26+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 5 [PMID: 35785990] [1] | SAGE718
Database Links Click here for help
GtoPdb PubChem SID 472319173
PubChem CID 86305217
Search Google for chemical match using the InChIKey BVBRUQYHUXKZMQ-JNVAYQLDSA-N
Search Google for chemicals with the same backbone BVBRUQYHUXKZMQ
UniChem Compound Search for chemical match using the InChIKey BVBRUQYHUXKZMQ-JNVAYQLDSA-N
UniChem Connectivity Search for chemical match using the InChIKey BVBRUQYHUXKZMQ-JNVAYQLDSA-N