Details of the Drug

General Information of Drug (ID: DMG79NT)

Drug Name

LY-274614

Synonyms

LY 235959; 137433-06-8; UNII-AR2BHC0C6P; LY-235959; AR2BHC0C6P; Decahydro-6-(phosphonomethyl)-3-isoquinolinecarboxylic acid; 3-Isoquinolinecarboxylic acid, decahydro-6-(phosphonomethyl)-, (3S-(3alpha,4aalpha,6beta,8aalpha))-; LY-274614; C11H20NO5P; LY 274614; 136109-04-1; Tocris-1019; LY274614; LY235959; Biomol-NT_000192; SCHEMBL195083; BPBio1_001216; AC1L302W; CHEMBL1448057; CTK0H8339; MolPort-023-275-977; 3-Isoquinolinecarboxylicacid, decahydro-6-(phosphonomethyl)-, (3S,4aR,6S,8aR)-; ZINC31424744; AKOS024456335; NCGC00024942-02

Indication

Disease Entry	ICD 11	Status	REF
Dementia	6D80-6D86	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

277.25

Topological Polar Surface Area (xlogp)

-2.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C11H20NO5P
IUPAC Name: (3S,4aR,6S,8aR)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Canonical SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CP(=O)(O)O)C(=O)O
InChI: InChI=1S/C11H20NO5P/c13-11(14)10-4-9-3-7(6-18(15,16)17)1-2-8(9)5-12-10/h7-10,12H,1-6H2,(H,13,14)(H2,15,16,17)/t7-,8-,9+,10-/m0/s1
InChIKey: STIRHCNEGQQBOY-QEYWKRMJSA-N

Cross-matching ID

PubChem CID: 131938
CAS Number: 137433-06-8
TTD ID: D0X6PG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-methyl-D-aspartate receptor (NMDAR)	TT9IK2Z	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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3	Altered expression of genes involved in GABAergic transmission and neuromodulation of granule cell activity in the cerebellum of schizophrenia pati... Am J Psychiatry. 2008 Dec;165(12):1594-603.
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7	Molecular determinants of the anticonvulsant felbamate binding site in the N-methyl-D-aspartate receptor. J Med Chem. 2008 Mar 27;51(6):1534-45.
8	The NMDA receptor antagonist memantine as a symptomatological and neuroprotective treatment for Alzheimer's disease: preclinical evidence. Int J Geriatr Psychiatry. 2003 Sep;18(Suppl 1):S23-32.
9	Progress report on new antiepileptic drugs: a summary of the Ninth Eilat Conference (EILAT IX). Epilepsy Res. 2009 Jan;83(1):1-43.
10	Neuroprotective agents for the treatment of acute ischemic stroke. Curr Neurol Neurosci Rep. 2003 Jan;3(1):9-20.
11	Magnesium sulfate diminishes the effects of amide local anesthetics in rat sciatic-nerve block. Reg Anesth Pain Med. 2007 Jul-Aug;32(4):288-95.
12	Emerging drugs for acute ischemic stroke. Expert Opin Emerg Drugs. 2009 Mar;14(1):33-42.