TDR Targets

Basic information

Technical information

TDR Targets ID: 342207
Name: [[[(1R)-1-naphthalen-1-ylethyl]amino]-phospho nomethyl]phosphonic acid
MW: 345.225 | Formula: C13H17NO6P2
H donors: 5 H acceptors: 6 LogP: -2.73 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: C[C@H](c1cccc2c1cccc2)NC(P(=O)(O)O)P(=O)(O)O
InChi: 1S/C13H17NO6P2/c1-9(14-13(21(15,16)17)22(18,19)20)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13-14H,1H3,(H2,15,16,17)(H2,18,19,20)/t9-/m1/s1
InChiKey: MGNVIMQLZSTUGX-SECBINFHSA-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

[[[(1R)-1-(1-naphthyl)ethyl]amino]-phosphono-methyl]phosphonic acid
[[[(1R)-1-(1-naphthalenyl)ethyl]amino]-phosphonomethyl]phosphonic acid
[[[(1R)-1-naphthalen-1-ylethyl]amino]-phosphono-methyl]phosphonic acid
[[[(1R)-1-(1-naphthyl)ethyl]amino]-phosphonomethyl]phosphonic acid

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	nAChR subunit	0.0098	0.0093	0.0147
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0165	0.0602	0.2826
Echinococcus granulosus	biogenic amine 5HT receptor	0.0297	0.1608	0.7647
Brugia malayi	Sushi domain	0.019	0.0791	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0093	0.0227
Onchocerca volvulus		0.0236	0.1142	0.5653
Echinococcus multilocularis	c4b binding protein beta chain	0.019	0.0791	0.1422
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0165	0.0602	0.1077
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0361	0.2099	0.8034
Loa Loa (eye worm)	hypothetical protein	0.02	0.087	0.2426
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0165	0.0602	0.1077
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0165	0.0602	0.059
Loa Loa (eye worm)	hypothetical protein	0.019	0.0791	0.2204
Brugia malayi	excitatory GABA receptor EXP-1A	0.0165	0.0602	0.059
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0093	0.0227
Echinococcus multilocularis	laminin	0.0282	0.1499	0.2717
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0098	0.0093	0.008
Echinococcus multilocularis	glycine receptor subunit beta	0.0165	0.0602	0.1077
Onchocerca volvulus		0.0349	0.201	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0089	0.0025	0.0012
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0236	0.1142	0.5412
Toxoplasma gondii	rhoptry neck protein RON9	0.019	0.0791	0.5235
Loa Loa (eye worm)	pregnancy-associated plasma protein-E	0.019	0.0791	0.2204
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0098	0.0093	0.0309
Echinococcus granulosus	glycine receptor subunit beta	0.0165	0.0602	0.2826
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1142	0.3198
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0361	0.2099	0.5909
Brugia malayi	Cation transporter family protein	0.0165	0.0602	0.059
Brugia malayi	hypothetical protein	0.019	0.0791	0.0779
Echinococcus multilocularis	Tolloid protein 1	0.0361	0.2099	0.3812
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0165	0.0602	0.167
Onchocerca volvulus	Putative nachr subunit	0.0236	0.1142	0.5653
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0165	0.0602	0.2826
Brugia malayi	hypothetical protein	0.019	0.0791	0.0779
Onchocerca volvulus		0.0098	0.0093	0.0402
Schistosoma mansoni	nAChR subunit	0.0165	0.0602	0.227
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0165	0.0602	0.2826
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.036	0.2093	0.2082
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1499	0.4211
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0341	0.1946	0.7447
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0165	0.0602	0.167
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1142	0.3198
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0165	0.0602	0.167
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0236	0.1142	0.2063
Echinococcus multilocularis	glycine receptor subunit beta	0.0165	0.0602	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0361	0.2099	0.5909
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0282	0.1499	1
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0282	0.1499	1
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Loa Loa (eye worm)	hypothetical protein	0.036	0.2093	0.5892
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0165	0.0602	0.059
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Toxoplasma gondii	rhoptry neck protein RON1	0.019	0.0791	0.5235
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0236	0.1142	0.2063
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0236	0.1142	0.3198
Loa Loa (eye worm)	hypothetical protein	0.019	0.0791	0.2204
Onchocerca volvulus		0.019	0.0791	0.3897
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0633	0.1755
Onchocerca volvulus		0.019	0.0791	0.3897
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0095	0.0073	1
Onchocerca volvulus	Putative cubilin	0.0089	0.0025	0.0058
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0165	0.0602	0.1077
Echinococcus multilocularis	serotonin receptor	0.0297	0.1608	0.2915
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0165	0.0602	0.059
Echinococcus granulosus	C type lectin domian containing protein	0.019	0.0791	0.3731
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.036	0.2093	1
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0236	0.1142	0.5412
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0165	0.0602	0.2826
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0282	0.1499	0.1488
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0236	0.1142	0.2063
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0165	0.0602	0.059
Loa Loa (eye worm)	hypothetical protein	0.0349	0.201	0.5657
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Loa Loa (eye worm)	hypothetical protein	0.0304	0.1665	0.4679
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0165	0.0602	0.167
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0165	0.0602	0.059
Echinococcus granulosus	c4b binding protein beta chain	0.019	0.0791	0.3731
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Leishmania major	C-8 sterol isomerase-like protein	0.036	0.2093	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0165	0.0602	0.059
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0165	0.0602	0.1077
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0165	0.0602	0.227
Onchocerca volvulus		0.019	0.0791	0.3897
Brugia malayi	Cation transporter family protein	0.0165	0.0602	0.059
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0165	0.0602	0.1077
Loa Loa (eye worm)	hypothetical protein	0.019	0.0791	0.2204
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0236	0.1142	0.4348
Schistosoma mansoni	nAChR subunit	0.0165	0.0602	0.227
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0165	0.0602	0.2826
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0165	0.0602	0.059
Schistosoma mansoni	c4b-binding protein beta chain	0.019	0.0791	0.2997
Trypanosoma brucei	C-8 sterol isomerase, putative	0.036	0.2093	0.5
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0093	0.0227
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0165	0.0602	0.2826
Loa Loa (eye worm)	GABA receptor subunit	0.0098	0.0093	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0093	0.0227
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0341	0.1946	0.1936
Onchocerca volvulus		0.019	0.0791	0.3897
Onchocerca volvulus		0.0236	0.1142	0.5653
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Onchocerca volvulus		0.019	0.0791	0.3897
Onchocerca volvulus		0.019	0.0791	0.3897
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0165	0.0602	0.2826
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0297	0.1608	0.6144
Loa Loa (eye worm)	ACC-1 protein	0.0165	0.0602	0.167
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0095	0.0073	1
Schistosoma mansoni	egf-like domain protein	0.0282	0.1499	0.5726
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0236	0.1142	0.4348
Brugia malayi	hypothetical protein	0.019	0.0791	0.0779
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0165	0.0602	0.059
Entamoeba histolytica	hypothetical protein	0.0098	0.0093	0.5
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0236	0.1142	0.113
Echinococcus granulosus	nAChR subunit	0.0098	0.0093	0.0385
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0165	0.0602	0.2826
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0098	0.0093	0.008
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0165	0.0602	0.227
Loa Loa (eye worm)	LGC-31 protein	0.0165	0.0602	0.167
Loa Loa (eye worm)	hypothetical protein	0.019	0.0791	0.2204
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0165	0.0602	0.059
Loa Loa (eye worm)	hypothetical protein	0.0341	0.1946	0.5477
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0428	0.2609	1
Echinococcus multilocularis	nAChR subunit	0.0165	0.0602	0.1077
Echinococcus granulosus	Tolloid protein 1	0.0361	0.2099	1
Onchocerca volvulus		0.0165	0.0602	0.2952
Onchocerca volvulus		0.0098	0.0093	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0165	0.0602	0.059
Brugia malayi	Fibulin-1 precursor	0.0282	0.1499	0.1488
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Loa Loa (eye worm)	hypothetical protein	0.0297	0.1608	0.4519
Brugia malayi	hypothetical protein	0.019	0.0791	0.0779
Onchocerca volvulus		0.0267	0.1379	0.6842
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0165	0.0602	0.167
Echinococcus granulosus	nAChR subunit	0.0165	0.0602	0.2826
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0165	0.0602	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0341	0.1946	0.5477
Brugia malayi	Trypsin family protein	0.0349	0.201	0.1999
Schistosoma mansoni	nAChR subunit	0.0165	0.0602	0.227
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0165	0.0602	0.059
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0165	0.0602	0.227
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0805	0.5484	1
Echinococcus granulosus	glycine receptor subunit beta	0.0165	0.0602	0.2826
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0093	0.0227
Onchocerca volvulus		0.019	0.0791	0.3897
Onchocerca volvulus		0.019	0.0791	0.3897
Loa Loa (eye worm)	hypothetical protein	0.0551	0.3543	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0095	0.0073	1
Echinococcus multilocularis	serotonin receptor	0.0297	0.1608	0.2915
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0349	0.201	0.7691
Brugia malayi	hypothetical protein	0.019	0.0791	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1499	0.4211
Onchocerca volvulus		0.0236	0.1142	0.5653
Echinococcus multilocularis	C type lectin domian containing protein	0.019	0.0791	0.1422
Schistosoma mansoni	nAChR subunit	0.0165	0.0602	0.227
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0282	0.1499	0.4211
Onchocerca volvulus		0.019	0.0791	0.3897
Onchocerca volvulus	Arrow homolog	0.0282	0.1499	0.7444
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Brugia malayi	Cation transporter family protein	0.0236	0.1142	0.113
Schistosoma mansoni	nAChR subunit	0.0165	0.0602	0.227
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0093	0.0227
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0165	0.0602	0.059
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0165	0.0602	0.059
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0161	0.0577	0.2172
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0098	0.0093	0.008
Loa Loa (eye worm)	hypothetical protein	0.0349	0.201	0.5657
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0236	0.1142	0.5412
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0165	0.0602	0.1077
Schistosoma mansoni	nAChR subunit	0.0165	0.0602	0.227
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0602	0.167
Schistosoma mansoni	nAChR subunit	0.0165	0.0602	0.227
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0093	0.0227
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0098	0.0093	0.0309
Brugia malayi	hypothetical protein	0.019	0.0791	0.0779
Onchocerca volvulus		0.019	0.0791	0.3897
Loa Loa (eye worm)	hypothetical protein	0.0184	0.075	0.2089
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0165	0.0602	0.059
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0093	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0025	0.0033
Brugia malayi	GCC2 and GCC3 family protein	0.02	0.087	0.0858
Brugia malayi	pregnancy-associated plasma protein-A	0.019	0.0791	0.0779
Loa Loa (eye worm)	hypothetical protein	0.019	0.0791	0.2204
Brugia malayi	hypothetical protein	0.019	0.0791	0.0779
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0282	0.1499	0.4211
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0165	0.0602	0.227
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0098	0.0093	0.008
Brugia malayi	Calcium binding EGF domain containing protein	0.0282	0.1499	0.1488
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1142	0.3198
Echinococcus multilocularis	fibrillin 1	0.0282	0.1499	0.2717
Schistosoma mansoni	neurotransmitter gated ion channel	0.0098	0.0093	0.0309
Plasmodium falciparum	apical sushi protein	0.019	0.0791	1
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1499	0.4211
Loa Loa (eye worm)	ACC-1 protein	0.0165	0.0602	0.167
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.0073	1
Loa Loa (eye worm)	hypothetical protein	0.0297	0.1608	0.4519
Loa Loa (eye worm)	hypothetical protein	0.019	0.0791	0.2204
Onchocerca volvulus		0.0165	0.0602	0.2952
Loa Loa (eye worm)	hypothetical protein	0.019	0.0791	0.2204
Plasmodium vivax	apical sushi protein, putative	0.019	0.0791	1
Echinococcus granulosus	laminin	0.0282	0.1499	0.7127
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0165	0.0602	0.059
Onchocerca volvulus		0.0165	0.0602	0.2952

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 42.7 uM	Inhibition of recombinant trypanosoma brucei soluble vacuolar pyrophosphatase expressed in escherichia coli	ChEMBL.	16162013
IC50 (binding)	= 42.7 uM	Inhibition of recombinant trypanosoma brucei soluble vacuolar pyrophosphatase expressed in escherichia coli	ChEMBL.	16162013
IC50 (functional)	= 63.23 uM	In vitro inhibitory concentration against the growth of Toxoplasma gondii in human foreskin fibroblast monolayer cells (HFF cells)	ChEMBL.	15857119

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: CHEMBL382754
PubChem: 5276546

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 342207