TCN-201   Click here for help

GtoPdb Ligand ID: 7846

Synonyms: QCR-22 | TCN 201 | TCN201
PDB Ligand
Compound class: Synthetic organic
Comment: TCN-201 is compound 1 in [1]. TCN-201 is a potent negative allosteric modulator of glycine but not glutamate at GluN2A NMDA receptors [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 112.75
Molecular weight 461.06
XLogP 4.36
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1ccc(cc1)CNS(=O)(=O)c1ccc(c(c1)Cl)F)NNC(=O)c1ccccc1
Isomeric SMILES O=C(c1ccc(cc1)CNS(=O)(=O)c1ccc(c(c1)Cl)F)NNC(=O)c1ccccc1
InChI InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
QCR-22 | TCN 201 | TCN201
Database Links Click here for help
CAS Registry No. 852918-02-6
ChEMBL Ligand CHEMBL2333945
GtoPdb PubChem SID 223366176
PubChem CID 4787937
RCSB PDB Ligand 67P
Search Google for chemical match using the InChIKey FYIBXBFDXNPBSF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FYIBXBFDXNPBSF
UniChem Compound Search for chemical match using the InChIKey FYIBXBFDXNPBSF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FYIBXBFDXNPBSF-UHFFFAOYSA-N

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TCN 201 (links to external site)
Cat. No. 4154