Details of the Drug

General Information of Drug (ID: DMUMSFR)

Drug Name

ME-3277

Synonyms

4-[2-(4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-2-ylcarboxamido)acetyl]phenylene-1,2-dioxybis(acetic acid)

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Discontinued in Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

448.4

Logarithm of the Partition Coefficient (xlogp)

-1.1

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C20H20N2O8S
IUPAC Name: 2-[2-(carboxymethoxy)-4-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]phenoxy]acetic acid
Canonical SMILES: C1CNCC2=C1SC(=C2)C(=O)NCC(=O)C3=CC(=C(C=C3)OCC(=O)O)OCC(=O)O
InChI: InChI=1S/C20H20N2O8S/c23-13(8-22-20(28)17-6-12-7-21-4-3-16(12)31-17)11-1-2-14(29-9-18(24)25)15(5-11)30-10-19(26)27/h1-2,5-6,21H,3-4,7-10H2,(H,22,28)(H,24,25)(H,26,27)
InChIKey: NCPUFPHVKAPNOO-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa)	TT38RM1	ITA2B_HUMAN ; ITB3_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Thrombosis

ICD Disease Classification

DB61-GB90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa)	DTT	ITGA2B; ITGB3	7.83E-01	-0.11	-0.45

Molecular Expression Atlas (MEA)

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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 800007141)
2	ME3277, a GPIIb/IIIa antagonist reduces cerebral infarction without enhancing intracranial hemorrhage in photothrombotic occlusion of rabbit middle cerebral artery. J Cereb Blood Flow Metab. 2000 Jun;20(6):988-97.