TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 696.764 | Formula: C36H46N3O11
H donors: 4 H acceptors: 5 LogP: 4.3 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)NC(=O)[C@H](C(C)C)NC(=O)OC1CC(C)(C)N(C(C1)(C)C)[O]
InChi: 1S/C36H46N3O11/c1-17(2)29(38-34(43)50-19-13-35(3,4)39(44)36(5,6)14-19)32(41)37-30-21-12-24-23(48-16-49-24)11-20(21)27(28-22(30)15-47-33(28)42)18-9-25(45-7)31(40)26(10-18)46-8/h9-12,17,19,22,27-30,40H,13-16H2,1-8H3,(H,37,41)(H,38,43)/t22-,27+,28-,29-,30+/m0/s1
InChiKey: LRULJMKZTBTNGF-ZSCOMUSESA-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
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.016	0.0345
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0297	0.4626	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.046	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0112
Schistosoma mansoni	ap endonuclease	0.008	0.0836	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0463	0.1024
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.1914	0.2964
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0112
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Loa Loa (eye worm)	PHD-finger family protein	0.0034	0.0032	0.0071
Trypanosoma cruzi	DNA polymerase eta, putative	0.0162	0.2272	0.491
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.008	0.0836	0.1849
Schistosoma mansoni	hypothetical protein	0.0034	0.0032	0.0032
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0113	0.1404	0.2171
Mycobacterium ulcerans	DNA polymerase IV	0.0105	0.1269	0.287
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.005	0.0112
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0046	0.0046
Trypanosoma brucei	DNA polymerase kappa, putative	0.0073	0.0698	0.1509
Echinococcus granulosus	histone acetyltransferase MYST2	0.011	0.1355	0.2094
Trypanosoma brucei	DNA polymerase kappa, putative	0.0073	0.0698	0.1509
Echinococcus granulosus	transcription factor Dp 1	0.0168	0.2377	0.3701
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0097	0.1121	0.1715
Echinococcus granulosus	SAM and MBT domain containing protein	0.0097	0.1121	0.1726
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.008	0.0836	0.2345
Brugia malayi	glutaminase DH11.1	0.0285	0.4422	0.978
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0105	0.1269	0.1269
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0291	0.4522	0.9773
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0105	0.1269	0.3638
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0046	0.0046
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.005	0.0042
Echinococcus multilocularis	polycomb protein SCMH1	0.0097	0.1121	0.1715
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0113	0.1404	0.2161
Trypanosoma brucei	unspecified product	0.0105	0.1269	0.2744
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.008	0.0836	0.1266
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.008	0.0836	0.1807
Loa Loa (eye worm)	hypothetical protein	0.011	0.1355	0.2997
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0032	0.0318
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0141	0.1889	0.4082
Trypanosoma brucei	DNA polymerase IV, putative	0.0105	0.1269	0.2744
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Echinococcus multilocularis	dna polymerase kappa	0.0105	0.1269	0.1949
Toxoplasma gondii	hypothetical protein	0.0048	0.0267	0.2665
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.008	0.0836	0.1807
Echinococcus multilocularis	dna polymerase eta	0.0162	0.2272	0.3527
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1121	0.2479
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.005	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0246	0.3734	0.8259
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.005	0.0114
Echinococcus granulosus	PHD finger protein rhinoceros	0.0034	0.0032	0.0013
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0042	0.0159	0.0159
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0156	0.2167	0.6316
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.008	0.0836	0.5
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0105	0.1269	0.2788
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.008	0.0836	1
Echinococcus granulosus	dna polymerase eta	0.0162	0.2272	0.3536
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0034	0.0032	0.0032
Mycobacterium ulcerans	DNA polymerase IV	0.0105	0.1269	0.287
Onchocerca volvulus		0.0097	0.1121	0.2534
Schistosoma mansoni	sex comb on midleg homolog	0.0097	0.1121	0.1121
Echinococcus granulosus	jumonji domain containing protein	0.0048	0.0268	0.0385
Schistosoma mansoni	jumonji domain containing protein	0.009	0.0998	0.0998
Trypanosoma brucei	DNA polymerase IV, putative	0.0105	0.1269	0.2744
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0397	0.6381	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0291	0.4522	0.9773
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Trichomonas vaginalis	set domain proteins, putative	0.028	0.4329	0.9788
Giardia lamblia	PHD finger protein 15	0.0034	0.0032	0.0251
Leishmania major	DNA polymerase eta, putative	0.0162	0.2272	0.491
Loa Loa (eye worm)	jmjC domain-containing protein	0.0042	0.0159	0.0351
Mycobacterium ulcerans	lipase LipD	0.0036	0.005	0.0114
Brugia malayi	mbt repeat family protein	0.0097	0.1121	0.2479
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0097	0.1121	0.1121
Trichomonas vaginalis	ap endonuclease, putative	0.008	0.0836	0.1797
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.005	0.005
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1914	0.1914
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.008	0.0836	0.1278
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0105	0.1269	0.1959
Trypanosoma brucei	unspecified product	0.0073	0.0698	0.1509
Treponema pallidum	exodeoxyribonuclease (exoA)	0.008	0.0836	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.3401	1
Brugia malayi	beta-lactamase	0.0036	0.005	0.0112
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.005	0.005
Echinococcus granulosus	peregrin	0.0034	0.0032	0.0013
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0319	0.0691
Brugia malayi	beta-lactamase family protein	0.0036	0.005	0.0112
Onchocerca volvulus		0.0036	0.005	0.0043
Plasmodium vivax	SET domain protein, putative	0.0035	0.0046	0.0554
Brugia malayi	beta-lactamase family protein	0.0036	0.005	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0112
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0105	0.1269	0.3638
Onchocerca volvulus		0.028	0.4329	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0297	0.4626	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0105	0.1269	0.2807
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0032	0.0318
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.1914	0.2974
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2272	0.5024
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0142	0.1914	0.4233
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0291	0.4522	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.009	0.1002	1
Onchocerca volvulus		0.0036	0.005	0.0043
Trypanosoma cruzi	DNA polymerase eta, putative	0.009	0.1002	0.2166
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0105	0.1269	0.2807
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0291	0.4522	0.9773
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0291	0.4522	0.7071
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.008	0.0836	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.005	0.0503
Loa Loa (eye worm)	glutaminase	0.0285	0.4422	0.978
Schistosoma mansoni	hypothetical protein	0.0336	0.5315	0.5315
Schistosoma mansoni	glutaminase	0.0285	0.4422	0.4422
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.016	0.0345
Trichomonas vaginalis	ap endonuclease, putative	0.008	0.0836	0.1797
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0142	0.1914	0.4233
Echinococcus multilocularis	histone acetyltransferase MYST2	0.011	0.1355	0.2084
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.008	0.0836	0.6586
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0105	0.1269	0.2744
Echinococcus multilocularis	jumonji domain containing protein	0.0048	0.0268	0.0372
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0297	0.4626	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0105	0.1269	0.2788
Echinococcus multilocularis	lysine specific demethylase 5A	0.0042	0.0159	0.02
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0032	0.0382
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0046	0.0036
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0042	0.0159	0.0159
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0291	0.4522	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0046	0.0046
Brugia malayi	exodeoxyribonuclease III family protein	0.008	0.0836	0.1849
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0105	0.1269	0.1176
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0291	0.4522	1
Loa Loa (eye worm)	glutaminase 2	0.0285	0.4422	0.978
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Trypanosoma brucei	unspecified product	0.0073	0.0698	0.1509
Trypanosoma brucei	DNA polymerase IV, putative	0.0105	0.1269	0.2744
Loa Loa (eye worm)	beta-lactamase	0.0036	0.005	0.0112
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Brugia malayi	mbt repeat family protein	0.0097	0.1121	0.2479
Loa Loa (eye worm)	hypothetical protein	0.0059	0.046	0.1018
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.1914	0.2964
Toxoplasma gondii	exonuclease III APE	0.008	0.0836	0.834
Leishmania major	hypothetical protein, conserved	0.0036	0.005	0.0109
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0134	0.0296
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.011	0.1355	0.2084
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0105	0.1269	0.1269
Giardia lamblia	DINP protein human, muc B family	0.0105	0.1269	1
Echinococcus multilocularis	geminin	0.0336	0.5315	0.8321
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0141	0.1889	0.4082
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.005	0.0604
Leishmania major	DNA polymerase eta, putative	0.009	0.1002	0.2166
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.0674	0.1491
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.005	0.0029
Brugia malayi	PHD-finger family protein	0.0034	0.0032	0.0071
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0397	0.6381	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0073	0.0698	0.1509
Mycobacterium ulcerans	glutaminase	0.0285	0.4422	1
Brugia malayi	jmjC domain containing protein	0.0042	0.0159	0.0351
Trypanosoma brucei	DNA polymerase eta, putative	0.0162	0.2272	0.491
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.1914	0.2974
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.008	0.0836	0.1807
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.011	0.1355	0.2997
Leishmania major	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Plasmodium falciparum	phd finger protein, putative	0.0034	0.0032	0.0382
Loa Loa (eye worm)	hypothetical protein	0.004	0.0134	0.0296
Brugia malayi	ImpB/MucB/SamB family protein	0.0162	0.2272	0.5024
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0097	0.1121	0.2534
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.005	0.0112
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0291	0.4522	0.4522
Mycobacterium ulcerans	hypothetical protein	0.0036	0.005	0.0114
Mycobacterium leprae	Probable lipase LipE	0.0036	0.005	0.5
Loa Loa (eye worm)	mbt repeat family protein	0.0097	0.1121	0.2479
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0112
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1914	0.1914
Schistosoma mansoni	ap endonuclease	0.008	0.0836	0.0836
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0046	0.0462
Echinococcus granulosus	lysine specific demethylase 5A	0.0042	0.0159	0.0213
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.046	0.1018
Brugia malayi	Pre-SET motif family protein	0.0035	0.0046	0.0103
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.046	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0032	0.0071
Echinococcus multilocularis	transcription factor Dp 1	0.0168	0.2377	0.3693
Schistosoma mansoni	hypothetical protein	0.0336	0.5315	0.5315
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.011	0.1355	0.2094
Brugia malayi	Bromodomain containing protein	0.0034	0.0032	0.0071
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.005	0.0109
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Trichomonas vaginalis	glutaminase, putative	0.0285	0.4422	1
Echinococcus granulosus	geminin	0.0336	0.5315	0.8323
Schistosoma mansoni	DNA polymerase eta	0.0162	0.2272	0.2272
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0291	0.4522	0.9773
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.1914	0.1914
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.005	0.0109
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0105	0.1269	0.1949
Onchocerca volvulus		0.0036	0.005	0.0043
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0141	0.1889	0.4082
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0291	0.4522	0.7075
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.005	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0112
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.005	0.0114
Schistosoma mansoni	hypothetical protein	0.004	0.0134	0.0134
Leishmania major	mitochondrial DNA polymerase beta	0.0297	0.4626	1
Schistosoma mansoni	sex comb on midleg homolog	0.0097	0.1121	0.1121
Brugia malayi	jmjC domain containing protein	0.0113	0.1404	0.3106
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0046	0.0103
Echinococcus granulosus	polycomb protein SCMH1	0.0097	0.1121	0.1726
Echinococcus granulosus	dna polymerase kappa	0.0105	0.1269	0.1959
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.008	0.0836	0.189
Mycobacterium ulcerans	beta-lactamase	0.0036	0.005	0.0114
Brugia malayi	Pre-SET motif family protein	0.0246	0.3734	0.8259
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.016	0.0345
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.016	0.0345
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.008	0.0836	0.1807
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0046	0.0046
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0046	0.0023
Onchocerca volvulus		0.0035	0.0046	0.0034
Schistosoma mansoni	myelin transcription factor 1 myt1	0.011	0.1355	0.1355
Trypanosoma brucei	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0046	0.0023
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0105	0.1269	0.2744
Mycobacterium ulcerans	hypothetical protein	0.0156	0.2167	0.4899
Loa Loa (eye worm)	MBCTL1	0.011	0.1355	0.2997
Loa Loa (eye worm)	hypothetical protein	0.0036	0.005	0.0112

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.061 uM	Cytotoxicity against human RPMI8226 cells after 48 hrs	ChEMBL.	20053564
IC50 (functional)	= 0.15 uM	Cytotoxicity against human A549 cells after 48 hrs	ChEMBL.	20053564
IC50 (functional)	= 0.24 uM	Cytotoxicity against human HL60 cells after 48 hrs	ChEMBL.	20053564

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20053564

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: CHEMBL592396

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1181280