TDR Targets

Basic information

Technical information

TDR Targets ID: 204282
Name: 5H-Quino[6,7,8-ij][2,7]naphthridin-5-one
MW: 235.241 | Formula: C14H9N3O
H donors: 0 H acceptors: 4 LogP: 1.51 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=c1c2ccc[nH]c2c2c3c1[nH]ccc3ccn2
InChi: 1S/C14H7N3O/c18-14-9-2-1-5-15-11(9)12-10-8(3-6-16-12)4-7-17-13(10)14/h1-7H
InChiKey: PBFIHLLASGHCTR-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

NSC683788
NCI60_030112

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	0.0104	0.1265	0.1247
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (LuxR-family)	0.0399	0.6993	1
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0164	0.2425	0.2409
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.004	0.0021	0.0021
Echinococcus granulosus	glycoprotein Antigen 5	0.0104	0.1265	0.1265
Brugia malayi	Trypsin family protein	0.0104	0.1265	0.1265
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0174	0.2123
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0104	0.1265	0.1247
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0056	0.033	0.033
Trypanosoma brucei	metacaspase MCA2	0.0048	0.0174	0.2686
Schistosoma mansoni	caspase-7 (C14 family)	0.0127	0.1714	0.1696
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0174	0.2123
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0048	0.0174	0.2123
Mycobacterium ulcerans	two component transcriptional regulator	0.0399	0.6993	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0554	1	1
Onchocerca volvulus		0.0045	0.011	0.011
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0554	1	1
Trypanosoma cruzi	metacaspase 5, putative	0.0048	0.0174	0.0154
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0104	0.1265	0.1265
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0063	0.0452	0.0432
Leishmania major	metacaspase, putative	0.0048	0.0174	0.0154
Onchocerca volvulus		0.0104	0.1265	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0045	0.011	0.0089
Echinococcus granulosus	caspase 3	0.0079	0.0777	0.0777
Trypanosoma cruzi	metacaspase 5, putative	0.0048	0.0174	0.0154
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0078	0.0744	0.0744
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Echinococcus granulosus	Mastin	0.0104	0.1265	0.1265
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.004	0.0021	0.0021
Toxoplasma gondii	kringle domain-containing protein	0.0554	1	1
Trypanosoma brucei	metacaspase 5, putative	0.0048	0.0174	0.2686
Brugia malayi	hypoxia-induced factor 1	0.0164	0.2425	0.2425
Onchocerca volvulus	Cell death protein 3 homolog	0.0093	0.1046	0.1046
Echinococcus multilocularis	caspase	0.0127	0.1714	0.1714
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0104	0.1265	0.1247
Trypanosoma cruzi	metacaspase, putative	0.0048	0.0174	0.0154
Trypanosoma cruzi	metacaspase, putative	0.0048	0.0174	0.0154
Echinococcus granulosus	transmembrane protease serine 3	0.0104	0.1265	0.1265
Brugia malayi	Probable DNA topoisomerase II	0.0078	0.0744	0.0744
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0174	0.2123
Brugia malayi	Trypsin family protein	0.0104	0.1265	0.1265
Echinococcus granulosus	enteropeptidase	0.0104	0.1265	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1265	0.1247
Mycobacterium ulcerans	nitrate/nitrite response regulator protein NarL	0.0399	0.6993	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0078	0.0744	0.0744
Leishmania major	mitochondrial DNA topoisomerase II	0.0061	0.0422	0.0402
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Echinococcus granulosus	caspase	0.0127	0.1714	0.1714
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Entamoeba histolytica	DNA topoisomerase II, putative	0.0078	0.0744	1
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0078	0.0744	0.0744
Onchocerca volvulus		0.0104	0.1265	0.1265
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0104	0.1265	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1265	0.1247
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0104	0.1265	0.1247
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0048	0.0174	0.2123
Mycobacterium ulcerans	putative regulatory protein	0.0399	0.6993	1
Trypanosoma brucei	metacaspase MCA3	0.0048	0.0174	0.2686
Schistosoma mansoni	hypothetical protein	0.0045	0.011	0.0089
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0048	0.0174	0.0154
Echinococcus multilocularis	tissue type plasminogen activator	0.0554	1	1
Echinococcus multilocularis	enteropeptidase	0.0104	0.1265	0.1265
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0061	0.0422	0.0402
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Chlamydia trachomatis	DNA gyrase subunit B	0.0042	0.0055	0.5
Schistosoma mansoni	hypothetical protein	0.0554	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0174	0.2123
Echinococcus multilocularis	glycoprotein Antigen 5	0.0104	0.1265	0.1265
Schistosoma mansoni	caspase-3 (C14 family)	0.0127	0.1714	0.1696
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0045	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0248	0.0228
Trypanosoma cruzi	DNA topoisomerase II, putative	0.007	0.0592	0.0573
Brugia malayi	hypothetical protein	0.0045	0.011	0.011
Schistosoma mansoni	hypothetical protein	0.0104	0.1265	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1046	0.1028
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0078	0.0744	1
Trypanosoma cruzi	metacaspase, putative	0.0048	0.0174	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0174	0.0154
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0078	0.0744	0.0744
Brugia malayi	Trypsin-like protease protein 5	0.0104	0.1265	0.1265
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0127	0.1714	0.1714
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0048	0.0174	0.2123
Mycobacterium tuberculosis	Probable transcriptional regulatory protein	0.0399	0.6993	1
Brugia malayi	Trypsin family protein	0.0104	0.1265	0.1265
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0104	0.1265	0.1265
Echinococcus multilocularis	caspase 2	0.0093	0.1046	0.1046
Mycobacterium ulcerans	two component transcriptional regulatory protein DevR	0.0399	0.6993	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0104	0.1265	0.1247
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0056	0.033	0.033
Onchocerca volvulus		0.0104	0.1265	0.1265
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0048	0.0174	0.2123
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0104	0.1265	0.1247
Echinococcus granulosus	apoptotic protease activating factor 1	0.0045	0.011	0.011
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0061	0.0422	0.0402
Mycobacterium ulcerans	hypothetical protein	0.0399	0.6993	1
Mycobacterium tuberculosis	Possible transcriptional regulatory protein	0.0399	0.6993	1
Schistosoma mansoni	single-minded	0.0053	0.0268	0.0247
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0104	0.1265	0.1247
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0058	0.037	0.0351
Plasmodium falciparum	cysteine repeat modular protein 1	0.0554	1	1
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.004	0.0021	0.0021
Trypanosoma brucei	DNA topoisomerase ii	0.0061	0.0422	0.7024
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0048	0.0174	0.0174
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0048	0.0174	0.2123
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0104	0.1265	0.1247
Plasmodium vivax	DNA topoisomerase II, putative	0.0078	0.0744	0.058
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Trypanosoma cruzi	DNA topoisomerase II, putative	0.007	0.0592	0.0573
Brugia malayi	Cell death protein 3 precursor	0.0093	0.1046	0.1046
Plasmodium falciparum	DNA topoisomerase 2	0.0078	0.0744	0.058
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.004	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0248	0.0228
Onchocerca volvulus		0.0104	0.1265	0.1265
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0174	0.2123
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1265	0.1247
Schistosoma mansoni	hypothetical protein	0.0104	0.1265	0.1247
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.007	0.0592	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.004	0.0021	0.0021
Echinococcus granulosus	ubiquitin specific protease 41	0.004	0.0021	0.0021
Brugia malayi	Kringle domain containing protein	0.0554	1	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0063	0.0452	0.0452
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0048	0.0174	0.2123
Echinococcus granulosus	caspase 2	0.0093	0.1046	0.1046
Mycobacterium tuberculosis	Possible two component transcriptional regulatory protein (probably LuxR-family)	0.0399	0.6993	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0554	1	1
Echinococcus multilocularis	transmembrane protease serine 3	0.0104	0.1265	0.1265
Echinococcus multilocularis	ubiquitin specific protease 41	0.004	0.0021	0.0021
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0127	0.1714	0.1714
Schistosoma mansoni	DNA topoisomerase II	0.0078	0.0744	0.0725
Echinococcus granulosus	tissue type plasminogen activator	0.0554	1	1
Giardia lamblia	DNA topoisomerase II	0.0074	0.0678	1
Loa Loa (eye worm)	trypsin family protein	0.0104	0.1265	0.1247
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0063	0.0452	0.0647
Brugia malayi	PAS domain containing protein	0.0053	0.0268	0.0268
Mycobacterium ulcerans	hypothetical protein	0.0104	0.1265	0.1809
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0174	0.2123
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0056	0.033	0.033
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1265	0.1247
Schistosoma mansoni	caspase-7 (C14 family)	0.0093	0.1046	0.1028
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0104	0.1265	0.1265
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (probably LuxR/UhpA-family)	0.0399	0.6993	1
Brugia malayi	hypothetical protein	0.0104	0.1265	0.1265
Trypanosoma cruzi	metacaspase, putative	0.0048	0.0174	0.0154
Mycobacterium leprae	PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN	0.0399	0.6993	0.5
Echinococcus multilocularis	Mastin	0.0104	0.1265	0.1265
Brugia malayi	Trypsin family protein	0.0104	0.1265	0.1265
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0078	0.0744	0.058
Onchocerca volvulus		0.0104	0.1265	0.1265
Leishmania major	DNA topoisomerase ii	0.007	0.0592	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0178	0.2693	0.2677
Brugia malayi	hypothetical protein	0.0178	0.2693	0.2693
Mycobacterium tuberculosis	Possible nitrate/nitrite response transcriptional regulatory protein NarL	0.0399	0.6993	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0048	0.0174	0.2123
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Echinococcus multilocularis	caspase 8	0.0048	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1265	0.1247
Onchocerca volvulus		0.0554	1	1
Echinococcus granulosus	caspase 8	0.0048	0.0174	0.0174
Echinococcus multilocularis	caspase 3	0.0079	0.0777	0.0777
Leishmania major	hypothetical protein, conserved	0.0554	1	1
Onchocerca volvulus		0.0104	0.1265	0.1265
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0063	0.0452	0.0432
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0104	0.1265	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0554	1	1
Loa Loa (eye worm)	TOPoisomerase family member	0.0078	0.0744	0.0725
Schistosoma mansoni	cercarial elastase (S01 family)	0.0104	0.1265	0.1247
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.007	0.0592	1
Schistosoma mansoni	aryl hydrocarbon receptor	0.0053	0.0268	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1265	0.1247
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0048	0.0174	0.2123
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0063	0.0452	0.0452
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0063	0.0452	0.0647
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0104	0.1265	0.1265
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0063	0.0452	0.0452
Trypanosoma brucei	Metacaspase-4	0.0048	0.0174	0.2686
Trypanosoma brucei	metacaspase	0.0048	0.0174	0.2686
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0048	0.0174	0.2123

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-7.605	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)	-6.801	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)	-6.698	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)	-6.552	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)	-6.215	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)	-6.163	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)	-6.139	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)	-6.069	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)	-6.015	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)	-5.981	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)	-5.823	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
IC50 (functional)	= 0.2 uM	In vitro antitumor effects against human MCF-7 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.2 uM	In vitro antitumor effects against human MCF-7 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.3 uM	In vitro antitumor effects against human T24 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.3 uM	In vitro antitumor effects against human T24 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.5 uM	In vitro antitumor effects against human U87MG cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.5 uM	In vitro antitumor effects against human U87MG cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.7 uM	In vitro antitumor effects against human T-47D cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.7 uM	In vitro antitumor effects against human T-47D cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.8 uM	In vitro antitumor effects against human U-373MG cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.8 uM	In vitro antitumor effects against human A-549 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.8 uM	In vitro antitumor effects against human U-373MG cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.8 uM	In vitro antitumor effects against human A-549 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.9 uM	In vitro antitumor effects against human HCT-15 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 0.9 uM	In vitro antitumor effects against human HCT-15 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 2 uM	In vitro antitumor effects against human LoVo cell lines.	ChEMBL.	12877592
IC50 (functional)	= 2 uM	In vitro antitumor effects against human LoVo cell lines.	ChEMBL.	12877592
IC50 (functional)	= 4 uM	In vitro antitumor effects against human SW 1088 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 4 uM	In vitro antitumor effects against human SW 1088 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 5 uM	In vitro antitumor effects against human J82 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 5 uM	In vitro antitumor effects against human PC-3 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 5 uM	In vitro antitumor effects against human J82 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 5 uM	In vitro antitumor effects against human PC-3 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 7 uM	In vitro antitumor effects against human A-427 cell lines.	ChEMBL.	12877592
IC50 (functional)	= 7 uM	In vitro antitumor effects against human A-427 cell lines.	ChEMBL.	12877592
MTD (functional)	= 10 mg kg-1	Maximum tolerated dose following single i.p. injection to B6D2F1/jico mice.	ChEMBL.	12877592
MTD (functional)	= 10 mg kg-1	Maximum tolerated dose following single i.p. injection to B6D2F1/jico mice.	ChEMBL.	12877592

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12877592

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: CHEMBL325202
PubChem: 388734

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 204282