TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 348.783 | Formula: C13H21ClN4O5
H donors: 4 H acceptors: 5 LogP: -3.69 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CN1C(=O)CC[C@@H](C1=O)NC(=O)[C@H](C1CCCN1)N.Cl
InChi: 1S/C13H20N4O5.ClH/c14-11(7-2-1-5-15-7)12(21)16-8-3-4-9(18)17(13(8)22)6-10(19)20;/h7-8,11,15H,1-6,14H2,(H,16,21)(H,19,20);1H/t7?,8-,11-;/m0./s1
InChiKey: NQVADOJNTDAZOB-KLUZNBEGSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	alanyl (membrane) aminopeptidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Peptidase family M1 containing protein	Get druggable targets OG5_127217	All targets in OG5_127217
Echinococcus multilocularis	aminopeptidase N	Get druggable targets OG5_127217	All targets in OG5_127217
Echinococcus granulosus	aminopeptidase N	Get druggable targets OG5_127217	All targets in OG5_127217
Loa Loa (eye worm)	peptidase family M1 containing protein	Get druggable targets OG5_127217	All targets in OG5_127217
Schistosoma japonicum	ko:K01256 membrane alanyl aminopeptidase [EC3.4.11.2], putative	Get druggable targets OG5_127217	All targets in OG5_127217
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127217	All targets in OG5_127217
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127217	All targets in OG5_127217
Onchocerca volvulus		Get druggable targets OG5_127217	All targets in OG5_127217

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	puromycin sensitive aminopeptidase	alanyl (membrane) aminopeptidase	967 aa	976 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.018	1	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.018	1	1
Echinococcus granulosus	dro:myosuppressin receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.018	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.018	1	1
Echinococcus multilocularis	neuropeptide receptor	0.018	1	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.018	1	1
Onchocerca volvulus		0.018	1	1
Brugia malayi	sulfakinin receptor protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Onchocerca volvulus		0.018	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.018	1	1
Onchocerca volvulus		0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.018	1	0.5
Echinococcus multilocularis	g protein coupled receptor	0.018	1	1
Brugia malayi	hypothetical protein	0.018	1	1
Echinococcus granulosus	orexin receptor type 2	0.018	1	1
Brugia malayi	GnHR receptor homolog	0.018	1	1
Schistosoma mansoni	adenoreceptor	0.018	1	0.5
Schistosoma mansoni	hypothetical protein	0.018	1	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.018	1	1
Schistosoma mansoni	hypothetical protein	0.018	1	0.5
Brugia malayi	hypothetical protein	0.018	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	1	1
Brugia malayi	Dopamine receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus multilocularis	serotonin receptor	0.018	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	1	1
Brugia malayi	hypothetical protein	0.018	1	1
Echinococcus multilocularis	fmrfamide receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Schistosoma mansoni	neuropeptide receptor	0.018	1	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.018	1	1
Schistosoma mansoni	myosin xvIII	0.018	1	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.018	1	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.018	1	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.018	1	0.5
Echinococcus multilocularis	allatostatin A receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus multilocularis	g protein coupled receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.018	1	1
Onchocerca volvulus		0.018	1	1
Brugia malayi	RE15519p	0.018	1	1
Onchocerca volvulus		0.018	1	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.018	1	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.018	1	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.018	1	1
Onchocerca volvulus		0.018	1	1
Brugia malayi	hypothetical protein	0.018	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	1	0.5
Brugia malayi	AKH receptor	0.018	1	1
Schistosoma mansoni	neuropeptide receptor	0.018	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.018	1	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.018	1	1
Echinococcus granulosus	g protein coupled receptor	0.018	1	1
Schistosoma mansoni	neuropeptide receptor	0.018	1	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.018	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.018	1	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.018	1	1
Schistosoma mansoni	neuropeptide receptor	0.018	1	0.5
Brugia malayi	Dopamine receptor protein 1	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.018	1	1
Echinococcus granulosus	neuropeptide Y receptor	0.018	1	1
Onchocerca volvulus		0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.018	1	0.5
Echinococcus granulosus	g protein coupled receptor	0.018	1	1
Echinococcus multilocularis	serotonin receptor	0.018	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	1	0.5
Echinococcus granulosus	serotonin receptor	0.018	1	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.018	1	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.018	1	0.5
Echinococcus granulosus	neuropeptide receptor	0.018	1	1
Brugia malayi	G-protein coupled receptor	0.018	1	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	Serotonin receptor	0.018	1	1
Onchocerca volvulus		0.018	1	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.018	1	1
Schistosoma mansoni	biogenic amine receptor	0.018	1	0.5
Onchocerca volvulus		0.018	1	1
Brugia malayi	hypothetical protein	0.018	1	1
Onchocerca volvulus		0.018	1	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.018	1	1
Brugia malayi	Melatonin receptor type 1A	0.018	1	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.018	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	1	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.018	1	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	1	0.5
Schistosoma mansoni	biogenic amine receptor	0.018	1	0.5
Echinococcus granulosus	somatostatin receptor	0.018	1	1
Brugia malayi	Serotonin receptor	0.018	1	1
Brugia malayi	Dopamine receptor protein 2	0.018	1	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.018	1	1
Schistosoma mansoni	amine GPCR	0.018	1	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	1	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.018	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Schistosoma mansoni	opsin-like receptor	0.018	1	0.5
Brugia malayi	ORL1-like opioid receptor	0.018	1	1
Echinococcus multilocularis	orexin receptor type 2	0.018	1	1
Loa Loa (eye worm)	TYRA-2 protein	0.018	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.018	1	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.018	1	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.018	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.018	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.018	1	0.5
Schistosoma mansoni	amine GPCR	0.018	1	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	1	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.018	1	1
Echinococcus granulosus	neuropeptide s receptor	0.018	1	1
Schistosoma mansoni	amine GPCR	0.018	1	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.018	1	1
Schistosoma mansoni	histamine h1 receptor	0.018	1	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	1	0.5
Schistosoma mansoni	amine GPCR	0.018	1	0.5
Echinococcus granulosus	fmrfamide receptor	0.018	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.018	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.018	1	0.5
Echinococcus multilocularis	g protein coupled receptor	0.018	1	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.018	1	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.018	1	1
Onchocerca volvulus		0.018	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.018	1	1
Brugia malayi	neuropeptide F receptor	0.018	1	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.018	1	1
Echinococcus multilocularis	sex peptide receptor	0.018	1	1
Schistosoma mansoni	opsin-like receptor	0.018	1	0.5
Onchocerca volvulus		0.018	1	1
Echinococcus multilocularis	neuropeptide receptor A26	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus granulosus	allatostatin A receptor	0.018	1	1
Schistosoma mansoni	biogenic amine receptor	0.018	1	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.018	1	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.018	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	1	1
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0116	0.1871	0.1871
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	1	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.018	1	0.5
Echinococcus multilocularis	neuropeptide receptor	0.018	1	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	putative neuropeptide receptor NPR1	0.018	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.018	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.018	1	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.018	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.018	1	0.5
Echinococcus granulosus	sex peptide receptor	0.018	1	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.018	1	0.5
Schistosoma mansoni	amine GPCR	0.018	1	0.5
Brugia malayi	G protein-coupled receptor	0.018	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	1	1
Onchocerca volvulus		0.018	1	1
Echinococcus granulosus	g protein coupled receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.018	1	1
Brugia malayi	follicle stimulating hormone receptor	0.018	1	1
Echinococcus granulosus	neuropeptide receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.018	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.018	1	1
Echinococcus multilocularis	g-protein coupled receptor	0.018	1	1
Echinococcus granulosus	g-protein coupled receptor	0.018	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	1	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.018	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.018	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.018	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.018	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	1	1
Brugia malayi	G-protein coupled receptor	0.018	1	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.018	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	1	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Schistosoma mansoni	hypothetical protein	0.018	1	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.018	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.018	1	0.5
Onchocerca volvulus		0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	1	1
Schistosoma mansoni	opsin-like receptor	0.018	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus multilocularis	fmrfamide receptor	0.018	1	1
Brugia malayi	neuropeptide F receptor	0.018	1	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.018	1	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Onchocerca volvulus		0.018	1	1
Brugia malayi	larval opioid receptor	0.018	1	1
Echinococcus granulosus	neuropeptide Y receptor	0.018	1	1
Schistosoma mansoni	hypothetical protein	0.018	1	0.5
Echinococcus multilocularis	somatostatin receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	hypothetical protein	0.018	1	1
Onchocerca volvulus		0.018	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.018	1	1
Brugia malayi	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Onchocerca volvulus		0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.345	0.345
Echinococcus granulosus	G protein coupled receptor 139	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	hypothetical protein	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus granulosus	hypothetical protein	0.018	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.018	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	1	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.018	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	1	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.018	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.018	1	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.018	1	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.018	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.018	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.018	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	putative neuropeptide receptor	0.018	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 13.2 uM	Inhibition of aminopeptidase N	ChEMBL.	20129718

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: CHEMBL1094936

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 915101