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

Logarithm of the Partition Coefficient (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

Drug ADMET Endpoint Profile (DAE)^NEW

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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]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001393)
2	The NMDA receptor antagonists, LY274614 and MK-801, and the nitric oxide synthase inhibitor, NG-nitro-L-arginine, attenuate analgesic tolerance to the mu-opioid morphine but not to kappa opioids. Pain. 1994 Jan;56(1):69-75.