TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 728.707 | Formula: C40H43Cl2N5O4
H donors: 2 H acceptors: 2 LogP: 9.01 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc2c(c1)c(NCCCN(CC1COC(O1)(C)C)CCCNc1c3cc(OC)ccc3nc3c1ccc(c3)Cl)c1c(n2)cc(cc1)Cl
InChi: 1S/C40H43Cl2N5O4/c1-40(2)50-24-29(51-40)23-47(17-5-15-43-38-30-11-7-25(41)19-36(30)45-34-13-9-27(48-3)21-32(34)38)18-6-16-44-39-31-12-8-26(42)20-37(31)46-35-14-10-28(49-4)22-33(35)39/h7-14,19-22,29H,5-6,15-18,23-24H2,1-4H3,(H,43,45)(H,44,46)
InChiKey: BPLKVGXDZXUONV-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

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
Trichomonas vaginalis	cyclin D, putative	0.0009	0.0013	0.0169
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0018	0.0293	0.0293
Brugia malayi	Ras association domain family 1 isoform A	0.0012	0.0109	0.0185
Brugia malayi	Variant SH3 domain containing protein	0.0012	0.0109	0.0185
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0012	0.0109	0.0109
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0293	0.0496
Echinococcus granulosus	cyclins	0.0009	0.0013	0.0013
Trypanosoma brucei	PB1 domain containing protein, putative	0.0012	0.011	0.1299
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0018	0.0293	0.0293
Echinococcus multilocularis	cyclins	0.0009	0.0013	0.0013
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0012	0.0109	0.0109
Loa Loa (eye worm)	cathepsin B	0.0031	0.0758	0.1197
Echinococcus granulosus	protein kinase c iota type	0.0196	0.649	0.649
Brugia malayi	cathepsin B-like cysteine proteinase	0.0094	0.2934	0.497
Echinococcus granulosus	unc 13 munc13	0.0012	0.0109	0.0109
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0012	0.0109	0.0172
Schistosoma mansoni	diacylglycerol kinase theta	0.0012	0.0109	0.0145
Trypanosoma cruzi	PB1 domain containing protein, putative	0.0012	0.011	0.0331
Schistosoma mansoni	memapsin-2 (A01 family)	0.0226	0.7513	1
Echinococcus granulosus	protein kinase c epsilon type	0.003	0.0716	0.0716
Schistosoma mansoni	hypothetical protein	0.0012	0.0109	0.0145
Echinococcus multilocularis	cyclins	0.0009	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0012	0.0109	0.0145
Brugia malayi	RhoGAP domain containing protein	0.0012	0.0109	0.0185
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0009	0.0013	0.0022
Schistosoma mansoni	serine/threonine protein kinase	0.0018	0.0293	0.039
Trichomonas vaginalis	ras-dva small GTPase, putative	0.0029	0.0698	0.9211
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0094	0.2934	0.3906
Brugia malayi	protein kinase C3,putative	0.0179	0.5904	1
Trichomonas vaginalis	ral, putative	0.0029	0.0698	0.9211
Echinococcus granulosus	ras gtpase	0.0029	0.0698	0.0698
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0094	0.2934	1
Entamoeba histolytica	diacylglycerol kinase, putative	0.0012	0.0109	0.1403
Echinococcus granulosus	cyclins	0.0009	0.0013	0.0013
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0009	0.0013	0.0013
Brugia malayi	p70 ribosomal S6 kinase beta	0.0018	0.0293	0.0496
Trichomonas vaginalis	cyclin B, putative	0.0009	0.0013	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0293	0.0463
Loa Loa (eye worm)	STE/STE11/MEKK2 protein kinase	0.0013	0.0131	0.0207
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0018	0.0293	0.0293
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0012	0.0109	0.0109
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0018	0.0293	0.376
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0018	0.0293	0.0463
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Echinococcus granulosus	NDR protein kinase	0.0018	0.0293	0.0293
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0018	0.0293	0.0293
Echinococcus granulosus	raf serine:threonine protein kinase	0.0012	0.0109	0.0109
Brugia malayi	C1-like domain containing protein	0.0013	0.013	0.0221
Echinococcus multilocularis	cyclin b3	0.0009	0.0013	0.0013
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0013	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0012	0.011	0.0173
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0018	0.0293	0.0293
Schistosoma mansoni	protein kinase C mu	0.0012	0.0109	0.0145
Brugia malayi	RhoGEF domain containing protein	0.0012	0.0109	0.0185
Trichomonas vaginalis	cyclin B, putative	0.0009	0.0013	0.0169
Trichomonas vaginalis	cyclins, putative	0.0009	0.0013	0.0169
Brugia malayi	diacylglycerol kinase	0.0012	0.0109	0.0185
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0094	0.2934	0.3906
Loa Loa (eye worm)	PAR-6 protein	0.0012	0.011	0.0173
Brugia malayi	Protein kinase c protein 2	0.0013	0.013	0.0221
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0094	0.2934	0.3906
Trichomonas vaginalis	cyclin B, putative	0.0009	0.0013	0.0169
Echinococcus granulosus	cathepsin b	0.0094	0.2934	0.2934
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Entamoeba histolytica	Ras family GTPase	0.0029	0.0698	1
Entamoeba histolytica	Ras family GTPase	0.0029	0.0698	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Echinococcus multilocularis	cyclins	0.0009	0.0013	0.0013
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Echinococcus multilocularis	cathepsin b	0.0094	0.2934	0.2934
Trichomonas vaginalis	cyclins, putative	0.0009	0.0013	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Schistosoma mansoni	serine/threonine protein kinase	0.0018	0.0293	0.039
Echinococcus granulosus	Diacylglycerol kinase theta	0.0012	0.0109	0.0109
Plasmodium vivax	aspartyl protease, putative	0.0009	0	0.5
Loa Loa (eye worm)	cyclin domain-containing protein	0.0009	0.0013	0.002
Echinococcus granulosus	cyclins	0.0009	0.0013	0.0013
Entamoeba histolytica	diacylglycerol kinase, putative	0.0012	0.0109	0.1403
Echinococcus granulosus	cyclins	0.0009	0.0013	0.0013
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0012	0.0109	0.0109
Trichomonas vaginalis	rap1 and, putative	0.0029	0.0698	0.9211
Plasmodium vivax	aspartyl protease, putative	0.0009	0	0.5
Plasmodium vivax	aspartyl proteinase, putative	0.0009	0	0.5
Echinococcus granulosus	cyclins	0.0009	0.0013	0.0013
Schistosoma mansoni	serine/threonine protein kinase	0.0013	0.013	0.0174
Echinococcus granulosus	protein kinase c eta type	0.0012	0.0109	0.0109
Schistosoma mansoni	diacylglycerol kinase theta	0.0012	0.0109	0.0145
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0018	0.0293	0.0463
Echinococcus granulosus	serine:threonine protein kinase N2	0.0018	0.0293	0.0293
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Echinococcus multilocularis	N chimaerin	0.0012	0.0109	0.0109
Schistosoma mansoni	serine/threonine kinase	0.0018	0.0293	0.039
Trichomonas vaginalis	cyclin B3, putative	0.0009	0.0013	0.0169
Schistosoma mansoni	unc-13 (munc13)	0.0012	0.0109	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Echinococcus multilocularis	unc 13 (munc13)	0.0012	0.0109	0.0109
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0192	0.6328	1
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0716	0.0953
Brugia malayi	Hr1 repeat family protein	0.0018	0.0293	0.0496
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0031	0.0758	0.255
Echinococcus multilocularis	cyclins	0.0009	0.0013	0.0013
Onchocerca volvulus		0.0009	0.0013	0.0978
Brugia malayi	diacylglycerol kinase	0.0012	0.0109	0.0185
Brugia malayi	Protein kinase domain containing protein	0.0013	0.013	0.0221
Trichomonas vaginalis	cyclins, putative	0.0009	0.0013	0.0169
Plasmodium vivax	aspartyl protease, putative	0.0009	0	0.5
Schistosoma mansoni	cell polarity protein	0.0012	0.011	0.0146
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0018	0.0293	0.0463
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0031	0.0758	0.1009
Onchocerca volvulus		0.0012	0.011	0.8365
Onchocerca volvulus		0.0012	0.0109	0.8321
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0018	0.0293	0.0293
Trichomonas vaginalis	rheb, putative	0.0029	0.0698	0.9211
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0012	0.0109	0.0109
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0009	0.0013	0.0022
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0031	0.0758	1
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Onchocerca volvulus		0.0012	0.0109	0.8321
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.0109	0.0145
Entamoeba histolytica	hypothetical protein	0.0012	0.0109	0.1403
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0031	0.0758	1
Echinococcus multilocularis	cyclin B	0.0009	0.0013	0.0013
Schistosoma mansoni	protein kinase C	0.0012	0.0109	0.0145
Schistosoma mansoni	serine/threonine protein kinase	0.0018	0.0293	0.039
Echinococcus multilocularis	partitioning defective protein 6	0.0012	0.011	0.011
Giardia lamblia	Cathepsin B precursor	0.0031	0.0758	1
Echinococcus multilocularis	protein kinase c epsilon type	0.003	0.0716	0.0716
Schistosoma mansoni	cyclin B3	0.0009	0.0013	0.0017
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Leishmania major	hypothetical protein, conserved	0.0012	0.011	0.1299
Echinococcus multilocularis	ras gtpase	0.0029	0.0698	0.0698
Brugia malayi	Protein kinase domain containing protein	0.0013	0.0131	0.0222
Entamoeba histolytica	hypothetical protein, conserved	0.0012	0.011	0.1412
Trichomonas vaginalis	cyclin A, putative	0.0009	0.0013	0.0169
Echinococcus multilocularis	myotubularin protein 13	0.0012	0.0109	0.0109
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0012	0.0109	0.0109
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0012	0.0109	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Echinococcus granulosus	Rac GTPase activating protein 1	0.0012	0.0109	0.0109
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Schistosoma mansoni	serine/threonine protein kinase	0.0018	0.0293	0.039
Entamoeba histolytica	protein kinase, putative	0.0018	0.0293	0.4087
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Trichomonas vaginalis	dexras1, putative	0.0029	0.0698	0.9211
Brugia malayi	Ras-related protein R-Ras2	0.0029	0.0698	0.1182
Echinococcus multilocularis	cyclins	0.0009	0.0013	0.0013
Echinococcus multilocularis	serine threonine protein kinase	0.0018	0.0293	0.0293
Trichomonas vaginalis	GTP-binding protein rit, putative	0.0029	0.0698	0.9211
Echinococcus granulosus	cyclin b3	0.0009	0.0013	0.0013
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0017	0.0271	0.3582
Schistosoma mansoni	cyclins	0.0009	0.0013	0.0017
Giardia lamblia	Cathepsin B precursor	0.0031	0.0758	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0013	0.002
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0012	0.0109	0.0145
Echinococcus granulosus	cathepsin b	0.0094	0.2934	0.2934
Echinococcus granulosus	cyclin B	0.0009	0.0013	0.0013
Onchocerca volvulus		0.0012	0.0109	0.8321
Entamoeba histolytica	protein kinase, putative	0.0018	0.0293	0.4087
Brugia malayi	RhoGAP domain containing protein	0.0012	0.0109	0.0185
Echinococcus multilocularis	cyclin B3 1	0.0009	0.0013	0.0013
Echinococcus multilocularis	cathepsin b	0.0094	0.2934	0.2934
Echinococcus granulosus	cyclin B3 1	0.0009	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0698	0.1103
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Giardia lamblia	Cathepsin B precursor	0.0031	0.0758	1
Toxoplasma gondii	diacylglycerol kinase, putative	0.0012	0.0109	0.1438
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0013	0.013	0.0206
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0012	0.0109	0.0172
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0013	0.013	0.0221
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0094	0.2934	0.3906
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Entamoeba histolytica	protein kinase, putative	0.0018	0.0293	0.4087
Trichomonas vaginalis	cyclin D, putative	0.0009	0.0013	0.0169
Plasmodium vivax	plasmepsin V, putative	0.0009	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0716	0.0953
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0018	0.0293	0.0463
Plasmodium vivax	plasmepsin IV, putative	0.0009	0	0.5
Toxoplasma gondii	cathepsin B	0.0031	0.0758	1
Trichomonas vaginalis	cyclin B, putative	0.0009	0.0013	0.0169
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0716	0.0953
Loa Loa (eye worm)	zinc finger protein	0.0012	0.011	0.0173
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0298	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0013	0.002
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0009	0.0013	0.0013
Brugia malayi	protein kinase C II.	0.003	0.0716	0.1213
Schistosoma mansoni	unc-13 (munc13)	0.0012	0.0109	0.0145
Echinococcus granulosus	Protein kinase C brain isozyme	0.003	0.0716	0.0716
Schistosoma mansoni	serine/threonine protein kinase	0.0013	0.013	0.0174
Schistosoma mansoni	atypical protein kinase C	0.0209	0.6914	0.9203
Entamoeba histolytica	ras-1, putative	0.0029	0.0698	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2934	0.4637
Echinococcus granulosus	protein TFG	0.0012	0.011	0.011
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0018	0.0293	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Loa Loa (eye worm)	Ras protein let-60	0.0029	0.0698	0.1103
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0018	0.0293	0.0463
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0018	0.0293	0.0463
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0013	0.0169
Trichomonas vaginalis	cyclin B, putative	0.0009	0.0013	0.0169
Brugia malayi	Pleckstrin Homology Domain	0.0012	0.0109	0.0185
Echinococcus granulosus	protein kinase C gamma type	0.0018	0.0293	0.0293
Plasmodium falciparum	cyclin	0.0009	0.0013	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Trypanosoma cruzi	PB1 domain containing protein, putative	0.0012	0.011	0.0331
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0293	0.0496
Trichomonas vaginalis	cyclins, putative	0.0009	0.0013	0.0169
Echinococcus multilocularis	protein kinase c iota type	0.0196	0.649	0.649
Brugia malayi	Protein kinase domain containing protein	0.0018	0.0293	0.0496
Entamoeba histolytica	protein kinase, putative	0.0018	0.0293	0.4087
Schistosoma mansoni	protein kinase C mu	0.0013	0.013	0.0174
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0013	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0109	0.0172
Plasmodium vivax	aspartyl proteinase, putative	0.0009	0	0.5
Echinococcus multilocularis	cyclins	0.0009	0.0013	0.0013
Echinococcus granulosus	N chimaerin	0.0012	0.0109	0.0109
Echinococcus multilocularis	cyclins	0.0009	0.0013	0.0013
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0018	0.0293	0.0293
Echinococcus multilocularis	protein kinase c eta type	0.0012	0.0109	0.0109
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.003	0.0716	0.1132
Loa Loa (eye worm)	raf kinase	0.0012	0.0109	0.0172
Onchocerca volvulus		0.0013	0.0131	1
Onchocerca volvulus	Protein TFG homolog	0.0012	0.011	0.8365
Schistosoma mansoni	cyclin B	0.0009	0.0013	0.0017
Brugia malayi	Ras protein let-60	0.0029	0.0698	0.1182
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0031	0.0758	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0018	0.0293	0.0463
Toxoplasma gondii	AGC kinase	0.0018	0.0293	0.3865
Schistosoma mansoni	rac gtpase activating protein	0.0012	0.0109	0.0145
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0009	0.0013	0.0022
Trichomonas vaginalis	cyclins, putative	0.0009	0.0013	0.0169
Trichomonas vaginalis	AGC family protein kinase	0.0018	0.0293	0.3865
Schistosoma mansoni	vav2	0.0012	0.0109	0.0145
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0012	0.0109	0.0109
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0018	0.0293	0.0293
Echinococcus multilocularis	protein TFG	0.0012	0.011	0.011
Echinococcus granulosus	myotubularin protein 13	0.0012	0.0109	0.0109
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.003	0.0716	0.0716
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0012	0.0109	0.0172
Brugia malayi	Partitioning defective-6 homolog alpha	0.0012	0.011	0.0186

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	< 0.01 uM	Cytotoxicity against MOLT4 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	< 0.01 uM	Cytotoxicity against MOLT4 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 3.43 uM	Cytotoxicity against human HA22T cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 5.6 uM	Cytotoxicity against human COLO205 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 5.6 uM	Cytotoxicity against human COLO205 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 6.61 uM	Cytotoxicity against SKBR3 cells after 72 hrs by MTT assay	ChEMBL.	17107806
SC50 (binding)	0	Binding affinity to Escherichia coli JM83 pUC19 DNA assessed as DNA intercalation assay	ChEMBL.	17107806

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17107806

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 420393