Org 24598   Click here for help

GtoPdb Ligand ID: 4600

Synonyms: ORG-24598
Compound class: Synthetic organic
Comment: Org 24598 is a potent and selective inhibitor of the glial glycine transporter GlyT1b [1]. It is active in vivo.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 49.77
Molecular weight 367.14
XLogP 4.27
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)CN(CCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C
Isomeric SMILES OC(=O)CN(CC[C@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C
InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic acid
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 372198-97-5 (source: Scifinder)
ChEMBL Ligand CHEMBL360052
GtoPdb PubChem SID 178101320
PubChem CID 5311285
Search Google for chemical match using the InChIKey KZWQAWBTWNPFPW-QGZVFWFLSA-N
Search Google for chemicals with the same backbone KZWQAWBTWNPFPW
UniChem Compound Search for chemical match using the InChIKey KZWQAWBTWNPFPW-QGZVFWFLSA-N
UniChem Connectivity Search for chemical match using the InChIKey KZWQAWBTWNPFPW-QGZVFWFLSA-N

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Org 24598 (links to external site)
Cat. No. 4447