TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 364.444 | Formula: C20H24N6O
H donors: 3 H acceptors: 3 LogP: 1.82 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(CNC(=O)c1ccc(cc1)c1cnc2n1nc(NCC1CC1)cc2)N
InChi: 1S/C20H24N6O/c1-13(21)10-24-20(27)16-6-4-15(5-7-16)17-12-23-19-9-8-18(25-26(17)19)22-11-14-2-3-14/h4-9,12-14H,2-3,10-11,21H2,1H3,(H,22,25)(H,24,27)
InChiKey: RQZWXMOPEGDGAD-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta	Starlite/ChEMBL	References

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	transcription factor LCR-F1	0.0036	0.0374	0.0333
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0046	0.0577	0.0536
Echinococcus granulosus	GPCR family 2	0.0046	0.0577	0.0536
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0376	0.0335
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0184	0.0186
Echinococcus multilocularis	tar DNA binding protein	0.013	0.216	0.2126
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0046	0.0569	0.0899
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0032	0.0296	0.0254
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0225	0.0183
Echinococcus granulosus	biogenic amine 5HT receptor	0.0249	0.4429	0.4405
Plasmodium vivax	amine transporter, putative	0.0032	0.0296	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0296	0.0257
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0046	0.0577	0.0541
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0184	0.0466
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0166	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0249	0.4429	0.4443
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0326	0.5896	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0061	0.0019
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0061	0.0065
Brugia malayi	latrophilin 2 splice variant baaae	0.01	0.1597	0.1611
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0154	0.2631	0.4422
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0184	0.0143
Plasmodium falciparum	transporter, putative	0.0032	0.0296	0.0827
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0032	0.0296	0.0254
Mycobacterium ulcerans	hypothetical protein	0.0172	0.2962	0.2958
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0376	0.0335
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0376	0.0335
Toxoplasma gondii	hypothetical protein	0.0053	0.0697	0.2138
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0032	0.0296	0.0771
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0154	0.2631	0.4422
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0043	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0296	0.0257
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0326	0.5896	1
Schistosoma mansoni	tar DNA-binding protein	0.013	0.216	0.2126
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0046	0.0577	0.0582
Entamoeba histolytica	hypothetical protein	0.0036	0.0374	0.9949
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0245	0.0204
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0166	0.0403
Loa Loa (eye worm)	glutaminase 2	0.0538	0.9914	1
Brugia malayi	Pre-SET motif family protein	0.0029	0.0245	0.0248
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0184	0.0242
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0179	0.3104	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0032	0.0296	0.0299
Brugia malayi	hypothetical protein	0.0036	0.0374	0.0378
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0245	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2772	0.2765
Loa Loa (eye worm)	TAR-binding protein	0.013	0.216	0.2145
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0032	0.0296	0.0257
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0032	0.0296	0.0827
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0046	0.0577	0.0536
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0032	0.0296	0.0254
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0184	0.0143
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0184	0.4242
Entamoeba histolytica	hypothetical protein	0.0036	0.0374	0.9949
Echinococcus multilocularis	geminin	0.0542	1	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0296	0.0257
Schistosoma mansoni	tar DNA-binding protein	0.013	0.216	0.2126
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0296	0.0257
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0032	0.0296	0.0254
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0245	0.0204
Schistosoma mansoni	hypothetical protein	0.0542	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0032	0.0296	0.0299
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0376	0.0379
Onchocerca volvulus		0.0229	0.4044	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0376	0.0335
Brugia malayi	RNA binding protein	0.013	0.216	0.2179
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0032	0.0296	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0184	0.0143
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0032	0.0296	0.0254
Brugia malayi	hypothetical protein	0.0025	0.0166	0.0167
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0296	0.0827
Brugia malayi	RNA recognition motif domain containing protein	0.013	0.216	0.2179
Brugia malayi	Latrophilin receptor protein 2	0.0046	0.0577	0.0582
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0184	0.4242
Echinococcus multilocularis	serotonin transporter	0.0032	0.0296	0.0254
Loa Loa (eye worm)	glutaminase	0.0538	0.9914	1
Loa Loa (eye worm)	hypothetical protein	0.0249	0.4429	0.4443
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0036	0.0376	0.057
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0162	0.2772	0.2796
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0179	0.3104	1
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0179	0.3104	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0184	0.0242
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0326	0.5896	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0184	0.0186
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0376	0.0338
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0162	0.2772	0.2765
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0032	0.0296	0.0254
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0184	0.0143
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0166	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0061	0.0019
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0166	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0061	0.0019
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0245	0.0662
Schistosoma mansoni	tar DNA-binding protein	0.013	0.216	0.2126
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0032	0.0296	0.0254
Treponema pallidum	sodium- and chloride- dependent transporter	0.0032	0.0296	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0376	0.0338
Plasmodium vivax	SET domain protein, putative	0.0029	0.0245	0.0662
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0166	0.0403
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0376	0.0335
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0032	0.0296	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.0125
Trichomonas vaginalis	set domain proteins, putative	0.0229	0.4044	0.4054
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0032	0.0296	0.0299
Brugia malayi	Pre-SET motif family protein	0.0201	0.3517	0.3547
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0245	0.0204
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0046	0.0569	0.0899
Toxoplasma gondii	hypothetical protein	0.0032	0.0296	0.0827
Schistosoma mansoni	hypothetical protein	0.0542	1	1
Loa Loa (eye worm)	RNA binding protein	0.013	0.216	0.2145
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0184	0.0186
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0376	0.057
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0376	0.0338
Echinococcus multilocularis	GPCR, family 2	0.0046	0.0577	0.0536
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0245	0.0204
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0179	0.3104	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0201	0.3517	0.3519
Onchocerca volvulus		0.0032	0.0296	0.029
Echinococcus granulosus	sodium and chloride dependent glycine	0.0162	0.2772	0.2741
Schistosoma mansoni	hypothetical protein	0.0046	0.0577	0.0536
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0184	0.0242
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0184	0.0143
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0184	0.0143
Schistosoma mansoni	glutaminase	0.0538	0.9914	0.9914
Toxoplasma gondii	hypothetical protein	0.0032	0.0296	0.0827
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0032	0.0296	0.0827
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0184	0.4242
Brugia malayi	glutaminase DH11.1	0.0538	0.9914	1
Schistosoma mansoni	hypothetical protein	0.0046	0.0577	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0577	0.0541
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0032	0.0296	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0184	0.0143
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0056	0.076	0.1225
Plasmodium falciparum	amino acid transporter, putative	0.0032	0.0296	0.0827
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0154	0.2631	0.4422
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0146	0.2477	0.2466
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0032	0.0296	0.0254
Loa Loa (eye worm)	hypothetical protein	0.01	0.1597	0.1575
Echinococcus granulosus	tar DNA binding protein	0.013	0.216	0.2126
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0376	0.0335
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0032	0.0296	0.0257
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0032	0.0296	0.0254
Echinococcus granulosus	sodium and chloride dependent glycine	0.0162	0.2772	0.2741
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0184	0.0143
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0032	0.0296	0.0254
Leishmania major	mitochondrial DNA polymerase beta	0.0326	0.5896	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0245	0.0204
Schistosoma mansoni	tar DNA-binding protein	0.013	0.216	0.2126
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0376	0.0335
Brugia malayi	TAR-binding protein	0.013	0.216	0.2179
Schistosoma mansoni	hypothetical protein	0.0036	0.0374	0.0333
Trichomonas vaginalis	hypothetical protein	0.0179	0.3104	0.3102
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0184	0.0466
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0376	0.0335
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0179	0.3104	0.3102
Onchocerca volvulus		0.0032	0.0296	0.029
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0376	1
Schistosoma mansoni	hypothetical protein	0.01	0.1597	0.1561
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0032	0.0296	0.0254
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0046	0.0577	0.0536
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0146	0.2477	0.2498
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0162	0.2772	0.2741
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0296	0.0257
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0043	0.0043
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0046	0.0569	0.0899
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0296	0.0257
Echinococcus multilocularis	serotonin receptor	0.0249	0.4429	0.4405
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0184	0.0143
Onchocerca volvulus		0.0032	0.0296	0.029
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0061	0.006
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0036	0.0376	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.2477	0.2466
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0032	0.0296	0.0254
Schistosoma mansoni	sodium/chloride dependent transporter	0.0032	0.0296	0.0254
Schistosoma mansoni	hypothetical protein	0.0046	0.0577	0.0536
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0032	0.0296	0.0254
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0166	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0061	0.0019
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0061	0.006
Trichomonas vaginalis	glutaminase, putative	0.0538	0.9914	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0166	0.0211
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0376	0.057
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0061	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0061	0.0019
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0184	0.0143
Echinococcus granulosus	serotonin transporter	0.0032	0.0296	0.0254
Loa Loa (eye worm)	norepinephrine transporter	0.0032	0.0296	0.0257
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0162	0.2772	0.2741
Schistosoma mansoni	sodium/chloride dependent transporter	0.0162	0.2772	0.2741
Loa Loa (eye worm)	serotonin transporter b	0.0032	0.0296	0.0257
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0376	0.057
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0296	0.0257
Entamoeba histolytica	hypothetical protein	0.0036	0.0374	0.9949
Entamoeba histolytica	hypothetical protein	0.0036	0.0374	0.9949
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2772	0.2765
Brugia malayi	hypothetical protein	0.0032	0.0296	0.0299
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0249	0.4429	0.4405
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0032	0.0296	0.0827
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0172	0.2962	0.9536
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0032	0.0296	0.0254
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0184	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0296	0.0257
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0046	0.0569	0.0899
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0245	0.0205
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0245	0.0204
Schistosoma mansoni	tar DNA-binding protein	0.013	0.216	0.2126
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0046	0.0577	0.0536
Echinococcus multilocularis	serotonin receptor	0.0249	0.4429	0.4405
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0376	0.0338
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.013	0.216	0.2145
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0374	0.0333
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0179	0.3104	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0146	0.2477	0.2498
Schistosoma mansoni	sodium/chloride dependent transporter	0.0162	0.2779	0.2748
Onchocerca volvulus		0.0032	0.0296	0.029
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0374	0.0333
Mycobacterium ulcerans	glutaminase	0.0538	0.9914	1
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0179	0.3104	1
Schistosoma mansoni	hypothetical protein	0.0046	0.0577	0.0536
Onchocerca volvulus		0.0029	0.0245	0.0159
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0032	0.0296	0.0254
Leishmania major	hypothetical protein, conserved	0.0025	0.0166	0.0211
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0179	0.3104	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.31 uM	Inhibition of purified His-tagged IKK-beta after 15 mins	ChEMBL.	20675134
IC50 (functional)	= 1.5 uM	Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced TNFalpha production after 4 hrs by ELISA	ChEMBL.	20675134

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20675134

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: CHEMBL1223206

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 1170604