LY382884
Basic information
- CAS
211566-75-5- Standard SMILES
O=C(O)c1ccc(C[C@H]2CC[C@H]3CN[C@H](C(=O)O)C[C@H]3C2)cc1- InChIKey
YVMADKYPKNLVGU-BVUBDWEXSA-N- Molecular formula
- C18H23NO4
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.16270821
Overview
LY382884 is a member of benzoic acids.
Names & identifiers
- Preferred name
- LY382884
- IUPAC
- (3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
- English name
- 3-Isoquinolinecarboxylic acid, 6-[(4-carboxyphenyl)methyl]decahydro-, (3S,4aR,6S,8aR)-
- Molecular formula
- C18H23NO4
- Molecular weight
- 317.38
Names & synonyms
LY382884LY 382884(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-decahydroisoquinoline-3-carboxylic acid(3S,4aR,6S,8aR)-6-((4-carboxyphenyl)methyl)-decahydroisoquinoline-3-carboxylic acidRefChem:925060211566-75-5CHEMBL274226(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid(3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acidLY-382884GTPL4247orb1700033
Show more names
SCHEMBL1812492CHEBI:34808DTXSID501131326GLXC-02488BDBM50168962AKOS0407488493-Isoquinolinecarboxylic acid, 6-[(4-carboxyphenyl)methyl]decahydro-, (3S,4aR,6S,8aR)-(3S, 4aR,6S, 8aR)-6-((4-carboxyphenyl)methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid)
Database identifiers
- CAS
211566-75-5- PubChem CID
- 656723
- DTXSID
DTXSID501131326- ChEMBL
CHEMBL274226- ChEBI
CHEBI:34808- Nikkaji
- J968.203A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Boiling point
- 540.6 · 540.6±35.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 2.46 · 2.46±0.40(Predicted)
Chemistry & industry
Applications
DescriptionLY382884 is a GLU(K5) receptor antagonist. LY382884 selectively binds the GLU(K5) kainate receptor subunit (K(b)=0.6 microM) and has 30 microM or greater affinity for cloned human AMPA receptor subtypes. GluR5-mediated glutamate signaling regulates hypothalamo-pituitary-adrenocortical stress responses at the paraventricular nucleus and median eminence.
UsesLY382884 is a selective antagonist for GluR5 kainate receptor. LY382884 prevents the induction of NMDA receptor independent long-term potentiation (LTP)[1].
Additional notes
DefinitionChEBI: LY382884 is a member of benzoic acids.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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