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]
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
PubChem CID
130587
CAS Number
108828-56-4
TTD ID
D0RU7T
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.