Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H20FN3O3S |
| Molecular Weight | 377.433 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
FC1=C(C=CC=C1)S(=O)(=O)N2CCOC3=C2C=CC=C3N4CCNCC4
InChI
InChIKey=UPROBLPRPWYJGN-UHFFFAOYSA-N
InChI=1S/C18H20FN3O3S/c19-14-4-1-2-7-17(14)26(23,24)22-12-13-25-18-15(5-3-6-16(18)22)21-10-8-20-9-11-21/h1-7,20H,8-13H2
| Molecular Formula | C18H20FN3O3S |
| Molecular Weight | 377.433 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionSources: http://adisinsight.springer.com/drugs/800020741 | https://www.ncbi.nlm.nih.gov/pubmed/20716023Curator's Comment: Description was created based on several sources, including
https://www.tocris.com/dispprod.php?ItemId=385007#.WH5ExlOLSwU
Sources: http://adisinsight.springer.com/drugs/800020741 | https://www.ncbi.nlm.nih.gov/pubmed/20716023
Curator's Comment: Description was created based on several sources, including
https://www.tocris.com/dispprod.php?ItemId=385007#.WH5ExlOLSwU
R-1485 is a lead candidate identified from Roche Pharmaceuticals research programme for the treatment of Alzheimer's disease. Selective and high affinity 5-HT6 antagonist; displays low hERG inhibition. Exhibits >100 fold selectivity against a panel of 50 targets including other 5-HT receptor subtypes. R-1485 is currently
in Phase I trials at Roche for the treatment of
Alzheimer’s type dementia. This compound showed a pKi
value of 9.3 when it was tested for inhibition of [3H]-LSD
binding to human 5-HT6 receptors expressed in HEK293
cells. In addition, it was also found that in rats this agent
has good BBB permeability.
CNS Activity
Originator
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:42:00 GMT 2023
by
admin
on
Sat Dec 16 09:42:00 GMT 2023
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| Record UNII |
B254UB9ZBA
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| Record Status |
Validated (UNII)
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Created by
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11689373
Created by
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B254UB9ZBA
Created by
admin on Sat Dec 16 09:42:00 GMT 2023 , Edited by admin on Sat Dec 16 09:42:00 GMT 2023
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Mechanism of Action: G protein-coupled receptor modulator; Highest Development Phase: No development reported for Alzheimer's disease; Most Recent Event: 26 Apr 2004 Phase-I clinical trials in Alzheimer's disease in Europe (PO), 24 Nov 2003 Preclinical trials in Alzheimer's disease in Europe (PO)
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ACTIVE MOIETY |
The in vitro binding activity of this compound was determined by the displacement of (3H)LSD in HEK293 cells expressing the recombinant human 5-HT6 receptor at 37 C and the pKi values are: 5-HT6 pKi = 8.9, hERG at 1 .MU.Mb = 9.9 +/- 3.3%, c log P = 2.90, B/P = 1.8
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ACTIVE MOIETY |
Biological Activity: Selective and high affinity 5-HT6 antagonist (pKi = 8.9)
displays low hERG inhibition. Exhibits >100 fold selectivity against a panel of 50 targets including other 5-HT receptor subtypes. Brain penetrant.
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