Drug General Information
Drug ID	D0R7MJ
Former ID	DNC004185
Drug Name	PURPUROGALLIN
Drug Type	Small molecular drug
Indication	Discovery agent		Terminated	[546235]
Structure		Download 2D MOL 3D MOL
Formula	C11H8O5
Canonical SMILES	C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)O)O
InChI	1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
InChIKey	WDGFFVCWBZVLCE-UHFFFAOYSA-N
PubChem Compound ID	5281571
Target and Pathway
Target(s)	L-selectin	Target Info	Inhibitor	[528676]
	P-selectin	Target Info	Inhibitor	[528676]
	mRNA of Bcl-x	Target Info	Inhibitor	[526790]
KEGG Pathway	Cell adhesion molecules (CAMs)hsa04514:Cell adhesion molecules (CAMs)
	Malaria
	Staphylococcus aureus infectionhsa04014:Ras signaling pathway
	NF-kappa B signaling pathway
	PI3K-Akt signaling pathway
	Apoptosis
	Jak-STAT signaling pathway
	Amyotrophic lateral sclerosis (ALS)
	Toxoplasmosis
	HTLV-I infection
	Pathways in cancer
	Transcriptional misregulation in cancer
	Pancreatic cancer
	Chronic myeloid leukemia
	Small cell lung cancer
NetPath Pathway	IL9 Signaling Pathway
	IL2 Signaling Pathway
	Leptin Signaling PathwayNetPath_14:IL2 Signaling Pathway
	TGF_beta_Receptor Signaling Pathway
	Notch Signaling Pathway
PANTHER Pathway	Apoptosis signaling pathway
	CCKR signaling map ST
Pathway Interaction Database	IL4-mediated signaling events
	amb2 Integrin signalingil2_pi3kpathway:IL2 signaling events mediated by PI3K
	IL3-mediated signaling events
	Caspase Cascade in Apoptosis
	EPO signaling pathway
	IL2 signaling events mediated by STAT5
Reactome	Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell
	Cell surface interactions at the vascular wallR-HSA-114608:Platelet degranulation
	Cell surface interactions at the vascular wallR-HSA-111453:BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members
	The NLRP1 inflammasome
WikiPathways	Human Complement System
	Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell
	Cell surface interactions at the vascular wallWP2806:Human Complement System
	Spinal Cord Injury
	Cell surface interactions at the vascular wallWP364:IL-6 signaling pathway
	IL-3 Signaling Pathway
	Nucleotide-binding domain, leucine rich repeat containing receptor (NLR) signaling pathways
	Apoptosis
	Amyotrophic lateral sclerosis (ALS)
	TNF alpha Signaling Pathway
	IL-7 Signaling Pathway
	Leptin signaling pathway
	Intrinsic Pathway for Apoptosis
	Apoptosis Modulation and Signaling
References
Ref 546235	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007041)
Ref 526790	J Med Chem. 2003 Sep 25;46(20):4259-64.Discovery, characterization, and structure-activity relationships studies of proapoptotic polyphenols targeting B-cell lymphocyte/leukemia-2 proteins.
Ref 528676	J Med Chem. 2007 Mar 22;50(6):1101-15. Epub 2007 Feb 16.Rational design of novel, potent small molecule pan-selectin antagonists.

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