CP-601927   

GtoPdb Ligand ID: 9056

Synonyms: CP 601927 | CP-601,927
Compound class: Synthetic organic
Comment: CP-601927 is an orally available, CNS‐penetrant, high affinity, selective, investigational partial agonist of the nicotinic acetylcholine (nAch) receptor α4β2 [1], developed for its potential in several central nervous system conditions [3]. CP-601927 was investigated for its potential to augment antidepressant treatment in patients with major depressive disorder [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 12.03
Molecular weight 227.09
XLogP 2.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES FC(c1ccc2c(c1)C1CNCC2C1)(F)F
Isomeric SMILES FC(c1ccc2c(c1)[C@H]1CNC[C@@H]2C1)(F)F
InChI InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1
InChI Key RNOBTWYQAWEZHH-JGVFFNPUSA-N
Classification
Compound class Synthetic organic
Synonyms
CP 601927 | CP-601,927
Comments
CP-601927 is an orally available, CNS‐penetrant, high affinity, selective, investigational partial agonist of the nicotinic acetylcholine (nAch) receptor α4β2 [1], developed for its potential in several central nervous system conditions [3]. CP-601927 was investigated for its potential to augment antidepressant treatment in patients with major depressive disorder [2].
Database Links
CAS Registry No. 357425-02-6 (source: PubChem)
GtoPdb PubChem SID 315661141
PubChem CID 11498153
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