TDR Targets

Basic information

Technical information

TDR Targets ID: 1619913
Name: NSC663666
MW: 377.348 | Formula: C24H11NO4
H donors: 1 H acceptors: 4 LogP: 3.86 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=c1ccc(=O)c2c1c1c(c(=O)c3c(c1=O)cccc3)c1c2[nH]c2c1cccc2
InChi: 1S/C24H11NO4/c26-15-9-10-16(27)19-18(15)21-20(17-13-7-3-4-8-14(13)25-22(17)19)23(28)11-5-1-2-6-12(11)24(21)29/h1-10,25H
InChiKey: MEONYDMMNHPUSF-UHFFFAOYSA-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

5H-Benzo[a]naphtho[2,3-c]carbazole-6,9,10,15-tetrone
AIDS063871
NCI60_021883
AIDS-063871

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
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0109	0.16
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0004	0.0044
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxM_2	0.2195	0.3369	0.4847
Brugia malayi	Protein kinase domain containing protein	0.0078	0.0109	0.3048
Echinococcus granulosus	protein kinase C gamma type	0.0078	0.0109	0.16
Leishmania major	adrenodoxin-like protein,ferredoxin, 2fe-2s-like protein	0.0209	0.0311	1
Chlamydia trachomatis	ferredoxin	0.0209	0.0311	0.5
Echinococcus multilocularis	ferredoxin adrenodoxin	0.0209	0.0311	0.2289
Brugia malayi	Adrenodoxin-like protein, mitochondrial precursor, putative	0.0209	0.0311	0.887
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0109	0.16
Chlamydia trachomatis	Na(+)-translocating NADH-quinone reductase subunit F	0.0209	0.0311	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Schistosoma mansoni	cpg binding protein	0.0031	0.0037	0.0537
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0234	0.035	1
Echinococcus multilocularis	Adrenodoxin, mitochondrial	0.0209	0.0311	0.2289
Trichomonas vaginalis	AGC family protein kinase	0.0234	0.035	0.035
Trypanosoma cruzi	adrenodoxin precursor, putative	0.0209	0.0311	1
Trichomonas vaginalis	Ferredoxin 7	0.0209	0.0311	0.0311
Brugia malayi	Protein kinase domain containing protein	0.0234	0.035	1
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0234	0.035	1
Brugia malayi	Protein kinase domain containing protein	0.0078	0.0109	0.3048
Echinococcus granulosus	ferredoxin	0.0209	0.0311	0.4579
Onchocerca volvulus		0.0209	0.0311	1
Toxoplasma gondii	adrenodoxin-type ferredoxin, putative	0.0209	0.0311	0.9137
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Mycobacterium ulcerans	carbon monoxide dehydrogenase	0.4307	0.662	1
Leishmania major	hypothetical protein, conserved	0.0209	0.0311	1
Trypanosoma cruzi	Protein kinase B	0.0158	0.0232	0.746
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Trichomonas vaginalis	AGC family protein kinase	0.0234	0.035	0.035
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0078	0.0109	0.08
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0109	0.3045
Schistosoma mansoni	hypothetical protein	0.0185	0.0274	0.4039
Echinococcus granulosus	nervana 2	0.015	0.022	0.3233
Giardia lamblia	[2Fe-2S] ferredoxin	0.0209	0.0311	1
Echinococcus granulosus	NDR protein kinase	0.0078	0.0109	0.16
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0109	0.16
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Echinococcus granulosus	serine/threonine protein kinase	0.0158	0.0232	0.3418
Toxoplasma gondii	ferredoxin, putative	0.0209	0.0311	0.9137
Toxoplasma gondii	AGC kinase	0.0228	0.034	1
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0109	0.16
Trichomonas vaginalis	AGC family protein kinase	0.0078	0.0109	0.0109
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0037	0.0965
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0078	0.0109	0.3045
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (large chain)	0.3066	0.4709	1
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Brugia malayi	2Fe-2S iron-sulfur cluster binding domain containing protein	0.0209	0.0311	0.887
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.1927	0.2956	0.4193
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.3066	0.4709	0.6971
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Echinococcus granulosus	dnaJ subfamily B	0.0447	0.0678	1
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (small chain)	0.1241	0.19	0.3614
Trichomonas vaginalis	AGC family protein kinase	0.0078	0.0109	0.0109
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0078	0.0109	0.3045
Echinococcus granulosus	protein kinase c iota type	0.0078	0.0109	0.16
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0078	0.0109	0.3045
Plasmodium falciparum	ferredoxin, putative	0.0209	0.0311	1
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0152	0.0222	0.714
Trypanosoma cruzi	adrenodoxin precursor, putative	0.0209	0.0311	1
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (medium chain)	0.2195	0.3369	0.6953
Loa Loa (eye worm)	2Fe-2S iron-sulfur cluster binding domain-containing protein	0.0209	0.0311	0.8869
Schistosoma mansoni	adrenodoxin	0.0209	0.0311	0.4579
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxL_2	0.3066	0.4709	0.6971
Trichomonas vaginalis	AGC family protein kinase	0.0234	0.035	0.035
Entamoeba histolytica	protein kinase 2, putative	0.0152	0.0222	0.6338
Plasmodium falciparum	adrenodoxin-type ferredoxin, putative	0.0209	0.0311	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0228	0.034	0.9714
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0152	0.0222	0.3271
Leishmania major	adrenodoxin-like protein,ferredoxin, 2fe-2s-like protein	0.0209	0.0311	1
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Trichomonas vaginalis	Ferredoxin 3	0.0209	0.0311	0.0311
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0158	0.0232	0.6622
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0078	0.0109	0.16
Echinococcus granulosus	serine threonine protein kinase nrc	0.0152	0.0222	0.3271
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Trichomonas vaginalis	AGC family protein kinase	0.0234	0.035	0.035
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0447	0.0678	1
Entamoeba histolytica	protein kinase, putative	0.0234	0.035	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.1241	0.19	0.2519
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0109	0.16
Echinococcus multilocularis	Glutaredoxin protein 5	0.015	0.022	0.1616
Trichomonas vaginalis	AGC family protein kinase	0.0234	0.035	0.035
Trichomonas vaginalis	Ferredoxin 6	0.0209	0.0311	0.0311
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0008	0.0002	0.0002
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0078	0.0109	0.3045
Echinococcus granulosus	protein kinase c epsilon type	0.0078	0.0109	0.16
Echinococcus multilocularis	rac serine:threonine kinase	0.0158	0.0232	0.1709
Echinococcus multilocularis	protein kinase c epsilon type	0.0078	0.0109	0.08
Echinococcus multilocularis	nervana 2	0.015	0.022	0.1616
Trypanosoma brucei	NADH-ubiquinone oxidoreductase complex I subunit, putative	0.0209	0.0311	0.8877
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Echinococcus granulosus	serine:threonine protein kinase N2	0.0078	0.0109	0.16
Treponema pallidum	hypothetical protein	0.1057	0.1616	1
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0004	0.0022
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0078	0.0109	0.16
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.1241	0.19	0.2519
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0078	0.0109	0.16
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0078	0.0109	0.3045
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0078	0.0109	0.08
Entamoeba histolytica	protein kinase, putative	0.0234	0.035	1
Echinococcus granulosus	cpg binding protein	0.0033	0.004	0.0578
Schistosoma mansoni	serine/threonine-protein kinase	0.0158	0.0232	0.3418
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Trichomonas vaginalis	Ferredoxin 4	0.0209	0.0311	0.0311
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0152	0.0222	0.714
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0109	0.16
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0078	0.0109	0.08
Trypanosoma cruzi	adrenodoxin precursor, putative	0.0209	0.0311	1
Brugia malayi	protein kinase C II.	0.0078	0.0109	0.3048
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0037	0.097
Echinococcus multilocularis	serine threonine protein kinase	0.0078	0.0109	0.08
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0076	0.0107	0.0107
Schistosoma mansoni	adrenodoxin	0.0209	0.0311	0.4579
Echinococcus multilocularis	cpg binding protein	0.0033	0.004	0.0289
Echinococcus granulosus	geminin	0.0185	0.0274	0.4039
Echinococcus granulosus	nervana 2	0.015	0.022	0.3233
Echinococcus granulosus	Protein kinase C brain isozyme	0.0078	0.0109	0.16
Treponema pallidum	quinoline 2-oxidoreductase	0.1032	0.1578	0.8682
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.015	0.022	0.3233
Trichomonas vaginalis	AGC family protein kinase	0.0234	0.035	0.035
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0228	0.034	0.9714
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0078	0.0109	0.08
Echinococcus granulosus	Adrenodoxin mitochondrial	0.0209	0.0311	0.4579
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0152	0.0222	0.1636
Echinococcus granulosus	Glutaredoxin protein 5	0.015	0.022	0.3233
Mycobacterium ulcerans	hypothetical protein	0.1057	0.1616	0.2069
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0008	0.0002	0.0002
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0158	0.0232	0.6622
Onchocerca volvulus	Adrenodoxin, mitochondrial homolog	0.0209	0.0311	1
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0081	0.2337
Leishmania major	ferredoxin, 2fe-2s-like protein	0.0209	0.0311	1
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Trichomonas vaginalis	AGC family protein kinase	0.0234	0.035	0.035
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0078	0.0109	0.08
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0078	0.0109	0.08
Trichomonas vaginalis	Ferredoxin 2	0.0209	0.0311	0.0311
Schistosoma mansoni	serine/threonine kinase	0.0078	0.0109	0.16
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0887	0.1354	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0209	0.0311	1
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0152	0.0222	0.714
Schistosoma mansoni	hypothetical protein	0.0185	0.0274	0.4039
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0078	0.0109	0.08
Schistosoma mansoni	atypical protein kinase C	0.0078	0.0109	0.16
Brugia malayi	Hr1 repeat family protein	0.0078	0.0109	0.3048
Entamoeba histolytica	protein kinase, putative	0.0078	0.0109	0.3094
Toxoplasma gondii	ferodoxin FD	0.0209	0.0311	0.9137
Trichomonas vaginalis	AGC family protein kinase	0.0078	0.0109	0.0109
Wolbachia endosymbiont of Brugia malayi	ferredoxin	0.0209	0.0311	0.5
Echinococcus multilocularis	geminin	0.0185	0.0274	0.2019
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0002	0.0002
Echinococcus multilocularis	nervana 2	0.015	0.022	0.1616
Schistosoma mansoni	cpg binding protein	0.0033	0.004	0.0578
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0078	0.0109	0.3045
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0158	0.0232	0.746
Trypanosoma brucei	electron transfer protein, putative	0.0209	0.0311	0.8877
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.0092	0.1338
Trichomonas vaginalis	AGC family protein kinase	0.0085	0.0119	0.0119
Mycobacterium ulcerans	carbon monoxyde dehydrogenase medium chain CoxM	0.2195	0.3369	0.4847
Echinococcus multilocularis	dnaJ subfamily B	0.0447	0.0678	0.5
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.015	0.022	0.1616
Plasmodium vivax	ferredoxin, putative	0.0209	0.0311	1
Trichomonas vaginalis	Ferredoxin 1	0.0209	0.0311	0.0311
Leishmania major	ferredoxin 2fe-2s-like protein	0.0209	0.0311	1
Schistosoma mansoni	serine/threonine protein kinase	0.0078	0.0109	0.16
Echinococcus multilocularis	protein kinase c iota type	0.0078	0.0109	0.08
Entamoeba histolytica	protein kinase, putative	0.0228	0.034	0.9716
Schistosoma mansoni	cpg binding protein	0.0033	0.004	0.0578
Schistosoma mansoni	serine/threonine-protein kinase	0.0158	0.0232	0.3418

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-6.477	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)	-5.414	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)	-5.247	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)	-5	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)	-5	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)	-5	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)	-5	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)	-5	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
GI50 (functional)	-5	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)	-5	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)	-5	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

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: CHEMBL1967552

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 1619913