Details of the Drug

General Information of Drug (ID: DMGFAVQ)

Drug Name
RG7304
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 228.25
Topological Polar Surface Area (xlogp) 1.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H12N4O
IUPAC Name
4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one
Canonical SMILES
CN(C1=CC(=O)NN=C1)/N=C\\C2=CC=CC=C2
InChI
InChI=1S/C12H12N4O/c1-16(11-7-12(17)15-13-9-11)14-8-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)/b14-8-
InChIKey
CTGDOGPKSFBVDA-ZSOIEALJSA-N
Cross-matching ID
PubChem CID
74890577
TTD ID
D06EFW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
A-Raf messenger RNA (ARAF mRNA) TT5TURO ARAF_HUMAN Inhibitor [2]
B-Raf messenger RNA (BRAF mRNA) TT0EOB8 BRAF_HUMAN Inhibitor [2]
ERK activator kinase (MEK) TTZCRP3 NOUNIPROTAC Modulator [2]
MAPK/ERK kinase kinase (MAP3K) TTROQ37 NOUNIPROTAC Inhibitor [2]
Microtubule-associated protein (MAP) TT1EDJZ MAP1A_HUMAN; MAP1B_HUMAN Modulator [2]
Raf messenger RNA (Raf mRNA) TTAN5W2 RAF1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Raf messenger RNA (Raf mRNA) DTT RAF1 2.12E-04 0.49 2.78
B-Raf messenger RNA (BRAF mRNA) DTT BRAF 1.56E-01 -0.23 -0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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6 Intrinsic resistance to selumetinib, a selective inhibitor of MEK1/2, by cAMP-dependent protein kinase A activation in human lung and colorectal cancer cells.Br J Cancer.2012 May 8;106(10):1648-59.
7 Antitumor activity of pimasertib, a selective MEK 1/2 inhibitor, in combination with PI3K/mTOR inhibitors or with multi-targeted kinase inhibitors in pimasertib-resistant human lung and colorectal cancer cells. Int J Cancer. 2013 Nov;133(9):2089-101.
8 The dual RAF/MEK inhibitor CH5126766/RO5126766 may be a potential therapy for RAS-mutated tumor cells.PLoS One.2014 Nov 25;9(11):e113217.
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13 Clinical pipeline report, company report or official report of ISIS Pharmaceuticals (2009).
14 Combination with liposome-entrapped, ends-modified raf antisense oligonucleotide (LErafAON) improves the anti-tumor efficacies of cisplatin, epirubicin, mitoxantrone, docetaxel and gemcitabine. Anticancer Drugs. 2004 Mar;15(3):243-53.
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21 US patent application no. 5,952,229, Antisense oligonucleotide modulation of raf gene expression.
22 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1943).
23 Comprehensive analysis of kinase inhibitor selectivity. Nat Biotechnol. 2011 Oct 30;29(11):1046-51.
24 The identification of potent and selective imidazole-based inhibitors of B-Raf kinase. Bioorg Med Chem Lett. 2006 Jan 15;16(2):378-81.
25 Novel inhibitors of B-RAF based on a disubstituted pyrazine scaffold. Generation of a nanomolar lead. J Med Chem. 2006 Jan 12;49(1):407-16.
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