gaboxadol   Click here for help

GtoPdb Ligand ID: 4322

Synonyms: LU-02030 | MK-0928 | MK0928 | OV101 | THIP
PDB Ligand
Compound class: Synthetic organic
Comment: GABAA agonist, with some preference for δ subunit-containing channels [6].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 58.03
Molecular weight 140.06
XLogP -0.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1[nH]oc2c1CCNC2
Isomeric SMILES O=c1[nH]oc2c1CCNC2
InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChI Key ZXRVKCBLGJOCEE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2H,3H,4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-one
International Nonproprietary Names Click here for help
INN number INN
5212 gaboxadol
Synonyms Click here for help
LU-02030 | MK-0928 | MK0928 | OV101 | THIP
Database Links Click here for help
CAS Registry No. 64603-91-4 (source: Scifinder)
ChEMBL Ligand CHEMBL312443
GtoPdb PubChem SID 178101139
PubChem CID 3448
RCSB PDB Ligand EI7
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UniChem Compound Search for chemical match using the InChIKey ZXRVKCBLGJOCEE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZXRVKCBLGJOCEE-UHFFFAOYSA-N
Wikipedia Gaboxadol