Details of the Drug

General Information of Drug (ID: DMBMAPH)

Drug Name

GPI-3000

Synonyms

NPC-17742

Indication

Disease Entry	ICD 11	Status	REF
Cerebrovascular ischaemia	8B1Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

279.27

Logarithm of the Partition Coefficient (xlogp)

-2

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C11H22NO5P
IUPAC Name: 2-amino-3-[2-(2-phosphonoethyl)cyclohexyl]propanoic acid
Canonical SMILES: C1CCC(C(C1)CCP(=O)(O)O)CC(C(=O)O)N
InChI: InChI=1S/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)
InChIKey: DHJQWBSZKBDBFP-UHFFFAOYSA-N

Cross-matching ID

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)

Jump to Detail Molecular Interaction Atlas of This Drug

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 800001817)
2	Treatment with the competitive NMDA antagonist GPI 3000 does not improve outcome after cardiac arrest in dogs. Stroke. 1998 Apr;29(4):824-9.