TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 750.611 | Formula: C20H37N5O13Pt
H donors: 5 H acceptors: 8 LogP: -6.37 Rotable bonds: 25
Rule of 5 violations (Lipinski): 2
SMILES: COCCOCC(=O)NCCCCC(C(=O)OC(=O)NC(C(=O)[O-])C(=O)[O-])NC(=O)COCCOC.[Pt+2].N.N
InChi: 1S/C20H33N3O13.2H3N.Pt/c1-32-7-9-34-11-14(24)21-6-4-3-5-13(22-15(25)12-35-10-8-33-2)19(30)36-20(31)23-16(17(26)27)18(28)29;;;/h13,16H,3-12H2,1-2H3,(H,21,24)(H,22,25)(H,23,31)(H,26,27)(H,28,29);2*1H3;/q;;;+2/p-2
InChiKey: MDJNDSFBNAHMRF-UHFFFAOYSA-L

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Loa Loa (eye worm)	hypothetical protein	0.009	0.0727	0.0713
Brugia malayi	jmjC domain containing protein	0.0038	0.0255	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Brugia malayi	Cation transporter family protein	0.0013	0.0034	0.0034
Schistosoma mansoni	hypothetical protein	0.0016	0.0058	0.0156
Schistosoma mansoni	nAChR subunit	0.0013	0.0034	0.009
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0013	0.0034	0.0018
Echinococcus multilocularis	nAChR subunit	0.0013	0.0034	0.0052
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0013	0.0034	0.0052
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0058	0.0119
Brugia malayi	jmjC domain containing protein	0.0098	0.08	0.08
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0255	0.0686
Schistosoma mansoni	cpg binding protein	0.0029	0.0179	0.048
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0013	0.0034	0.0052
Onchocerca volvulus		0.009	0.0727	0.5105
Echinococcus granulosus	survival motor neuron protein 1	0.0255	0.2229	0.5983
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0013	0.0034	0.0034
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0013	0.0034	0.0018
Echinococcus granulosus	muscleblind protein	0.0161	0.1376	0.3677
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0058	0.0119
Echinococcus multilocularis	dnaJ subfamily B	0.0418	0.3717	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0384	0.0384
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0289	0.0742
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0013	0.0034	0.0052
Brugia malayi	Bromodomain containing protein	0.003	0.0183	0.0183
Echinococcus granulosus	glycine receptor subunit beta	0.0013	0.0034	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0671	0.0657
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0058	0.0058
Echinococcus multilocularis	cpg binding protein	0.0031	0.0194	0.0485
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0013	0.0034	0.0034
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0375	0.0375
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.1109	1	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0418	1
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.009	0.0727	0.1957
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0058	0.0043
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0183	0.0491
Brugia malayi	Cation transporter family protein	0.0013	0.0034	0.0034
Schistosoma mansoni	hypothetical protein	0.0418	0.3717	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0255	0.2229	0.5983
Loa Loa (eye worm)	hypothetical protein	0.1109	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0013	0.0034	0.0052
Echinococcus multilocularis	glycine receptor subunit beta	0.0013	0.0034	0.0052
Brugia malayi	hypothetical protein	0.0255	0.2229	0.2229
Schistosoma mansoni	nAChR subunit	0.0013	0.0034	0.009
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0013	0.0034	0.0052
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0013	0.0034	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1376	0.1362
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0013	0.0034	0.009
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0183	0.0455
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0179	0.0179
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0013	0.0034	0.0052
Brugia malayi	excitatory GABA receptor EXP-1A	0.0013	0.0034	0.0034
Schistosoma mansoni	nAChR subunit	0.0013	0.0034	0.009
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0471	0.0457
Schistosoma mansoni	nAChR subunit	0.0013	0.0034	0.009
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0058	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0013	0.0034	0.0052
Loa Loa (eye worm)	hypothetical protein	0.009	0.0727	0.0713
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0376	0.0362
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0183	0.4373
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0013	0.0034	0.009
Brugia malayi	PHD-finger family protein	0.003	0.0183	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0289	0.0742
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0013	0.0034	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1376	0.1362
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.009	0.0727	0.1957
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0255	0.024
Echinococcus multilocularis	peregrin	0.003	0.0183	0.0455
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0013	0.0034	0.0052
Loa Loa (eye worm)	hypothetical protein	0.1109	1	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0194	0.0521
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0098	0.08	0.2122
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0013	0.0034	0.0034
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0375	0.0375
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0098	0.08	0.2122
Onchocerca volvulus		0.0052	0.0384	0.258
Echinococcus granulosus	peregrin	0.003	0.0183	0.0455
Echinococcus granulosus	dnaJ subfamily B	0.0418	0.3717	1
Schistosoma mansoni	nAChR subunit	0.0013	0.0034	0.009
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0013	0.0034	0.0034
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0013	0.0034	0.0052
Brugia malayi	PHD-finger family protein	0.0011	0.0015	0.0015
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0013	0.0034	0.0052
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0183	0.4373
Schistosoma mansoni	nAChR subunit	0.0013	0.0034	0.009
Schistosoma mansoni	cpg binding protein	0.0031	0.0194	0.0521
Loa Loa (eye worm)	hypothetical protein	0.003	0.0183	0.0168
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0183	0.0168
Schistosoma mansoni	nAChR subunit	0.0013	0.0034	0.009
Loa Loa (eye worm)	hypothetical protein	0.0255	0.2229	0.2217
Echinococcus multilocularis	muscleblind protein 1	0.0161	0.1376	0.3677
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0013	0.0034	0.0034
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.024	0.0609
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.001	0	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0013	0.0034	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0478	0.1286
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0013	0.0034	0.0034
Echinococcus granulosus	GPCR family 2	0.0016	0.0058	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0228	0.0213
Schistosoma mansoni	hypothetical protein	0.003	0.0183	0.0491
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0255	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0375	0.036
Onchocerca volvulus	Alhambra homolog	0.003	0.0183	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Schistosoma mansoni	hypothetical protein	0.0016	0.0058	0.0156
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0013	0.0034	0.0034
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0013	0.0034	0.0052
Brugia malayi	F/Y-rich N-terminus family protein	0.0019	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0058	0.0119
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0384	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0013	0.0034	0.0034
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0013	0.0034	0.009
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0013	0.0034	0.0052
Giardia lamblia	PHD finger protein 15	0.003	0.0183	0.5
Onchocerca volvulus		0.0029	0.0179	0.1067
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0013	0.0034	0.0034
Loa Loa (eye worm)	LGC-31 protein	0.0013	0.0034	0.0018
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0228	0.0228
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0013	0.0034	0.0052
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0183	0.0455
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0013	0.0034	0.0018
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0255	0.065
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0013	0.0034	0.0052
Brugia malayi	Muscleblind-like protein	0.0161	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Onchocerca volvulus		0.009	0.0727	0.5105
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0013	0.0034	0.0018
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0013	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.0617	0.166
Echinococcus multilocularis	glycine receptor subunit beta	0.0013	0.0034	0.0052
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0013	0.0034	0.0052
Echinococcus multilocularis	muscleblind protein	0.0161	0.1376	0.3677
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0013	0.0034	0.0034
Brugia malayi	Cation transporter family protein	0.009	0.0727	0.0727
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0058	0.0043
Schistosoma mansoni	hypothetical protein	0.0016	0.0058	0.0156
Brugia malayi	hypothetical protein	0.0163	0.1392	0.1392
Loa Loa (eye worm)	ACC-1 protein	0.0013	0.0034	0.0018
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0017	0.0066	0.0179
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0183	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0013	0.0034	0.0018
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.001	0	0.5
Plasmodium falciparum	phd finger protein, putative	0.003	0.0183	1
Echinococcus granulosus	cpg binding protein	0.0031	0.0194	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0013	0.0034	0.0034
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0013	0.0034	0.0034
Echinococcus granulosus	nAChR subunit	0.0013	0.0034	0.0052
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0013	0.0034	0.0034
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0013	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1392	0.1379
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0013	0.0034	0.0018
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0013	0.0034	0.0052
Loa Loa (eye worm)	ACC-1 protein	0.0013	0.0034	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Schistosoma mansoni	hypothetical protein	0.0052	0.0384	0.1034
Echinococcus granulosus	glycine receptor subunit beta	0.0013	0.0034	0.0052
Onchocerca volvulus		0.009	0.0727	0.5105
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0179	0.0164
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0013	0.0034	0.0052
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0013	0.0034	0.0034
Schistosoma mansoni	hypothetical protein	0.0035	0.0228	0.0615
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0058	0.0058
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0058	0.0119
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0013	0.0034	0.009
Onchocerca volvulus		0.0163	0.1392	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0013	0.0034	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018
Schistosoma mansoni	hypothetical protein	0.0016	0.0058	0.0156
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0375	0.036
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0034	0.0018

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.0000627 Mol/L	Inhibition concentration against C6 human breast cancer cells by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide (MTT) method	ChEMBL.	16085413
IC50 (functional)	= 0.000119 Mol/L	Inhibition concentration against C6 human breast cancer cells by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide (MTT) method	ChEMBL.	16085413
IC50 (functional)	= 0.000272 Mol/L	Inhibition concentration against C6 human breast cancer cells by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide (MTT) method	ChEMBL.	16085413
LD50 (functional)	= 901.5 mg kg-1	Lethal dose of the compound administered intraperitonially in mice	ChEMBL.	16085413
LD50 (functional)	= 988.1 mg kg-1	Lethal dose of the compound administered intraperitonially in mice	ChEMBL.	16085413
LD50 (functional)	= 1013.7 mg kg-1	Lethal dose of the compound administered intraperitonially in mice	ChEMBL.	16085413

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: 429909

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 341998