Details of the Drug

General Information of Drug (ID: DM3H6YC)

Drug Name

G-619

Synonyms

4-Methoxy-N3-(3-picolyl)-1,3-benzenedicarboxamide; 4-Methoxy-N3-(3-pyridylmethyl)-1,3-benzenedicarboxamide

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

285.3

Logarithm of the Partition Coefficient (xlogp)

0.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H15N3O3
IUPAC Name: 4-methoxy-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)N)C(=O)NCC2=CN=CC=C2
InChI: InChI=1S/C15H15N3O3/c1-21-13-5-4-11(14(16)19)7-12(13)15(20)18-9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H2,16,19)(H,18,20)
InChIKey: QWZWECXMQXZQOG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thromboxane A2 receptor (TBXA2R)	TT2O84V	TA2R_HUMAN	Modulator	[1]
Thromboxane-A synthase (TBXAS1)	TTKNWZ4	THAS_HUMAN	Modulator	[1]

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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
Thromboxane-A synthase (TBXAS1)	DTT	TBXAS1	6.56E-01	0.02	0.08

Molecular Expression Atlas (MEA)

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References

1	G 619, a dual thromboxane synthase inhibitor and thromboxane A2 receptor antagonist, inhibits tumor necrosis factor-alpha biosynthesis. Eur J Pharmacol. 1995 Nov 3;286(1):31-9.