TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 431.273 | Formula: C18H18IN5
H donors: 2 H acceptors: 1 LogP: 3.71 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N=C(NCc1ccccc1)N/N=C\c1ccnc2c1cccc2.I
InChi: 1S/C18H17N5.HI/c19-18(21-12-14-6-2-1-3-7-14)23-22-13-15-10-11-20-17-9-5-4-8-16(15)17;/h1-11,13H,12H2,(H3,19,21,23);1H/b22-13-;
InChiKey: SLWHJOLFMVOBSX-BWLGBDCWSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0943	0.9699	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0524	0.3935	0.4057
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0308	0.0969	0.0999
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0308	0.0969	0.0999
Echinococcus multilocularis	tyrosine kinase	0.0524	0.3935	0.4057
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0308	0.0969	0.0999
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0524	0.3935	0.4057
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0524	0.3935	0.4057
Loa Loa (eye worm)	TK protein kinase	0.0524	0.3935	0.3935
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0308	0.0969	0.0999
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0524	0.3935	0.4057
Brugia malayi	protein-tyrosine kinase	0.0524	0.3935	0.3884
Brugia malayi	hypothetical protein	0.0308	0.0969	0.0893
Schistosoma mansoni	hypothetical protein	0.0308	0.0969	0.0627
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0308	0.0969	0.0627
Onchocerca volvulus		0.0524	0.3935	1
Brugia malayi	SH2 domain containing protein	0.0524	0.3935	0.3884
Schistosoma mansoni	vav2	0.0308	0.0969	0.0627
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0308	0.0969	0.0999
Echinococcus multilocularis	SH2 motif	0.0308	0.0969	0.0999
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Echinococcus granulosus	SH2 motif	0.0308	0.0969	0.0999
Loa Loa (eye worm)	SRC-1	0.0524	0.3935	0.3935
Onchocerca volvulus		0.0308	0.0969	0.2463
Onchocerca volvulus		0.0524	0.3935	1
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0308	0.0969	0.0999
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0524	0.3935	0.4057
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0524	0.3935	0.4057
Brugia malayi	Protein kinase domain containing protein	0.0524	0.3935	0.3884
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0524	0.3935	0.4057
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0524	0.3935	0.4057
Schistosoma mansoni	tyrosine kinase	0.0524	0.3935	0.3812
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0524	0.3935	0.4057
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0308	0.0969	0.0999
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0524	0.3935	0.4057
Brugia malayi	Sex muscle abnormal protein 5	0.0308	0.0969	0.0893
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0308	0.0969	0.0893
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0308	0.0969	0.0999
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0244	0.0083	0.0083
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Brugia malayi	SH2 domain containing protein	0.0308	0.0969	0.0893
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Onchocerca volvulus		0.0524	0.3935	1
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0943	0.9699	1
Onchocerca volvulus		0.0524	0.3935	1
Brugia malayi	hypothetical protein	0.0524	0.3935	0.3884
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0308	0.0969	0.0999
Brugia malayi	Protein kinase domain containing protein	0.0524	0.3935	0.3884
Echinococcus multilocularis	SHC transforming protein 3	0.0308	0.0969	0.0999
Onchocerca volvulus		0.0524	0.3935	1
Schistosoma mansoni	tyrosine kinase	0.0524	0.3935	0.3812
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0308	0.0969	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Echinococcus granulosus	tensin	0.0308	0.0969	0.0999
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0308	0.0969	0.0969
Echinococcus granulosus	expressed conserved protein	0.0308	0.0969	0.0999
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0308	0.0969	0.0999
Schistosoma mansoni	tensin-related	0.0308	0.0969	0.0627
Echinococcus granulosus	tyrosine protein kinase Blk	0.0524	0.3935	0.4057
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Echinococcus multilocularis	c src tyrosine kinase	0.0524	0.3935	0.4057
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0308	0.0969	0.0627
Onchocerca volvulus		0.0308	0.0969	0.2463
Brugia malayi	SH2 domain containing protein	0.0308	0.0969	0.0893
Loa Loa (eye worm)	SH2 domain-containing protein	0.0308	0.0969	0.0969
Brugia malayi	Protein kinase domain containing protein	0.0524	0.3935	0.3884
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0308	0.0969	0.0999
Schistosoma mansoni	suppressor of cytokine signaling	0.0308	0.0969	0.0627
Echinococcus multilocularis	NCK adaptor protein	0.0308	0.0969	0.0999
Brugia malayi	Protein kinase domain containing protein	0.0524	0.3935	0.3884
Brugia malayi	Variant SH3 domain containing protein	0.0308	0.0969	0.0893
Schistosoma mansoni	growth factor receptor-bound protein	0.0308	0.0969	0.0627
Echinococcus granulosus	signal transduction protein lnk realted	0.0308	0.0969	0.0999
Brugia malayi	SH2 domain containing protein	0.0308	0.0969	0.0893
Echinococcus multilocularis	SH2 motif	0.0308	0.0969	0.0999
Schistosoma mansoni	signal transduction protein lnk-related	0.0308	0.0969	0.0627
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0524	0.3935	0.4057
Schistosoma mansoni	tensin	0.0308	0.0969	0.0627
Brugia malayi	Variant SH3 domain containing protein	0.0308	0.0969	0.0893
Loa Loa (eye worm)	TK/ABL protein kinase	0.0524	0.3935	0.3935
Schistosoma mansoni	tyrosine kinase	0.0524	0.3935	0.3812
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0524	0.3935	0.4057
Echinococcus multilocularis	SH2 domain containing protein 7	0.0308	0.0969	0.0999
Echinococcus granulosus	hypothetical protein	0.0308	0.0969	0.0999
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0524	0.3935	0.4057
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Schistosoma mansoni	tensin	0.0308	0.0969	0.0627
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0308	0.0969	0.0999
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Schistosoma mansoni	tyrosine kinase	0.0943	0.9699	1
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0308	0.0969	0.0999
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0524	0.3935	0.4057
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0308	0.0969	0.0627
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0524	0.3935	0.4057
Schistosoma mansoni	tensin	0.0308	0.0969	0.0627
Echinococcus granulosus	tyrosine protein kinase shark	0.0524	0.3935	0.4057
Echinococcus granulosus	SH2 domain containing protein 7	0.0308	0.0969	0.0999
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0524	0.3935	0.4057
Loa Loa (eye worm)	hypothetical protein	0.0524	0.3935	0.3935
Brugia malayi	SH2 domain containing protein	0.0308	0.0969	0.0893
Echinococcus granulosus	SH2 motif	0.0308	0.0969	0.0999
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Brugia malayi	Tyrosine-protein kinase abl-1	0.0524	0.3935	0.3884
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0308	0.0969	0.0969
Echinococcus granulosus	N chimaerin	0.0308	0.0969	0.0999
Schistosoma mansoni	tensin-related	0.0308	0.0969	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Echinococcus granulosus	tyrosine kinase	0.0524	0.3935	0.4057
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Onchocerca volvulus		0.0308	0.0969	0.2463
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0308	0.0969	0.0999
Brugia malayi	Protein kinase domain containing protein	0.0524	0.3935	0.3884
Onchocerca volvulus		0.0524	0.3935	1
Schistosoma mansoni	tyrosine kinase	0.0524	0.3935	0.3812
Echinococcus multilocularis	N chimaerin	0.0308	0.0969	0.0999
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0524	0.3935	0.4057
Echinococcus multilocularis	tensin	0.0308	0.0969	0.0999
Echinococcus granulosus	NCK adaptor protein	0.0308	0.0969	0.0999
Brugia malayi	SH2 domain containing protein	0.0308	0.0969	0.0893
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0308	0.0969	0.0999
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0524	0.3935	0.4057
Brugia malayi	Variant SH3 domain containing protein	0.0308	0.0969	0.0893
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0524	0.3935	0.4057
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0943	0.9699	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0524	0.3935	0.4057
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0308	0.0969	0.0999
Echinococcus multilocularis	tyrosine protein kinase shark	0.0524	0.3935	0.4057
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0524	0.3935	1
Schistosoma mansoni	GTPase activating protein	0.0308	0.0969	0.0627
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Echinococcus granulosus	tyrosine protein kinase Srms	0.0524	0.3935	0.4057
Loa Loa (eye worm)	SH2 domain-containing protein	0.0308	0.0969	0.0969
Loa Loa (eye worm)	SH2 domain-containing protein	0.0308	0.0969	0.0969
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0524	0.3935	0.4057
Schistosoma mansoni	tyrosine kinase	0.0524	0.3935	0.3812
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0943	0.9699	1
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0308	0.0969	0.0893
Schistosoma mansoni	growth factor receptor-bound protein	0.0308	0.0969	0.0627
Brugia malayi	SRC-1	0.0524	0.3935	0.3884
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0308	0.0969	0.0999
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0308	0.0969	0.0969
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0308	0.0969	0.0969
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0524	0.3935	0.4057
Echinococcus multilocularis	SH2 motif	0.0308	0.0969	0.0999
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Schistosoma mansoni	nck2/grb4	0.0308	0.0969	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Schistosoma mansoni	SH2A	0.0308	0.0969	0.0627
Schistosoma mansoni	adapter molecule crk	0.0308	0.0969	0.0627
Onchocerca volvulus		0.0308	0.0969	0.2463
Loa Loa (eye worm)	TK/FER protein kinase	0.0524	0.3935	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Brugia malayi	SH2 domain containing protein	0.0524	0.3935	0.3884
Echinococcus multilocularis	signal transduction protein lnk realted	0.0308	0.0969	0.0999
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0308	0.0969	0.0627
Echinococcus granulosus	tyrosine kinase	0.0524	0.3935	0.4057
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0308	0.0969	0.0999
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0308	0.0969	0.0969
Onchocerca volvulus		0.0308	0.0969	0.2463
Echinococcus granulosus	SHC transforming protein 3	0.0308	0.0969	0.0999
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0308	0.0969	0.0999
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0524	0.3935	0.4057
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0524	0.3935	0.3812
Schistosoma mansoni	tyrosine kinase	0.0524	0.3935	0.3812
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0308	0.0969	0.2463
Brugia malayi	SH2 domain containing protein	0.0308	0.0969	0.0893
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0308	0.0969	0.0627
Schistosoma mansoni	hypothetical protein	0.0308	0.0969	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0969	0.0969
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0524	0.3935	0.4057
Schistosoma mansoni	shc transforming protein	0.0308	0.0969	0.0627
Echinococcus multilocularis	tensin	0.0308	0.0969	0.0999
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0308	0.0969	0.0893
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0524	0.3935	0.4057
Brugia malayi	SH2 domain containing protein	0.0308	0.0969	0.0893
Brugia malayi	Tensin	0.0308	0.0969	0.0893
Loa Loa (eye worm)	STAT protein	0.0308	0.0969	0.0969
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0524	0.3935	0.4057
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0308	0.0969	0.0893
Brugia malayi	Variant SH3 domain containing protein	0.0308	0.0969	0.0893
Loa Loa (eye worm)	TK protein kinase	0.0965	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0524	0.3935	0.4057
Echinococcus granulosus	c src tyrosine kinase	0.0524	0.3935	0.4057
Echinococcus multilocularis		0.0308	0.0969	0.0999
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0308	0.0969	0.2463
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0524	0.3935	0.4057
Brugia malayi	RhoGAP domain containing protein	0.0308	0.0969	0.0893
Schistosoma mansoni	suppressor of cytokine signaling	0.0308	0.0969	0.0627
Onchocerca volvulus		0.0308	0.0969	0.2463
Echinococcus granulosus	growth factor receptor bound protein 2	0.0308	0.0969	0.0999

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.845	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.186	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.991	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.983	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.963	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.844	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.82	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.815	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.805	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.804	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.782	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1988090

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1606353