Details of the Drug

General Information of Drug (ID: DM0ZQ48)

Drug Name

GPI-16072

Indication

Disease Entry	ICD 11	Status	REF
Neuropathic pain	8E43.0	Phase 1	[1]
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Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

226.12

Logarithm of the Partition Coefficient (xlogp)

-1.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C6H11O7P
IUPAC Name: 2-[[hydroperoxy(hydroxy)phosphanyl]methyl]pentanedioic acid
Canonical SMILES: C(CC(=O)O)C(CP(O)OO)C(=O)O
InChI: InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(12)13-11/h4,11-12H,1-3H2,(H,7,8)(H,9,10)
InChIKey: HKANXFJUBKMWSW-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate carboxypeptidase II (GCPII)	TT9G4N0	FOLH1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Neuropathic pain

ICD Disease Classification

8E43.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate carboxypeptidase II (GCPII)	DTT	FOLH1	1.40E-09	2.08	2.21

Molecular Expression Atlas (MEA)

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References

1	Emerging disease-modifying therapies for the treatment of motor neuron disease/amyotropic lateral sclerosis. Expert Opin Emerg Drugs. 2007 May;12(2):229-52.
2	Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.