iclepertin   Click here for help

GtoPdb Ligand ID: 12110

Synonyms: BI 425809 | BI-425809 | BI425809
Compound class: Synthetic organic
Comment: Iclepertin (BI 425809) is an oral glycine transporter-1 (GlyT1; SLC6A9) inhibitor [4]. Inhibiting GlyT1 increases the extracellular concentration of glycine which is a NMDA receptor co-agonist. This mecahnism is predicted to combat the neural network dysfunction and cognitive impairment that's associated with schizophrenia, and potentially Alzheimer's disease.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 98.09
Molecular weight 512.08
XLogP 4.19
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1cc(ccc1O[C@@H](C(F)(F)F)C)S(=O)(=O)C)N1C[C@H]2[C@@](C1)(C2)c1noc(c1)C(F)(F)F
Isomeric SMILES C[C@H](C(F)(F)F)Oc1c(cc(cc1)S(=O)(=O)C)C(=O)N1C[C@@H]2C[C@@]2(C1)c1noc(c1)C(F)(F)F
InChI InChI=1S/C20H18F6N2O5S/c1-10(19(21,22)23)32-14-4-3-12(34(2,30)31)5-13(14)17(29)28-8-11-7-18(11,9-28)15-6-16(33-27-15)20(24,25)26/h3-6,10-11H,7-9H2,1-2H3/t10-,11+,18+/m1/s1
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
11739 iclepertin
Synonyms Click here for help
BI 425809 | BI-425809 | BI425809
Database Links Click here for help
CAS Registry No. 1421936-85-7 (source: WHO INN record)
GtoPdb PubChem SID 472319232
PubChem CID 155259577
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