TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 522.398 | Formula: C23H19Cl2F2N5OS
H donors: 2 H acceptors: 2 LogP: 4.53 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: Fc1ccc(c(c1)F)Sc1nc2CNC(=O)N(c2cc1N1CCNCC1)c1c(Cl)cccc1Cl
InChi: 1S/C23H19Cl2F2N5OS/c24-14-2-1-3-15(25)21(14)32-18-11-19(31-8-6-28-7-9-31)22(30-17(18)12-29-23(32)33)34-20-5-4-13(26)10-16(20)27/h1-5,10-11,28H,6-9,12H2,(H,29,33)
InChiKey: BMNBPNRAKNFVAB-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	mitogen-activated protein kinase 13	Starlite/ChEMBL	References
Mus musculus	mitogen-activated protein kinase 12	Starlite/ChEMBL	References
Mus musculus	mitogen-activated protein kinase 13	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	P38 map kinase family protein 2	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania infantum	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma congolense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania donovani	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania mexicana	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania braziliensis	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma japonicum	ko:K04441 p38 MAP kinase, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei gambiense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 13	366 aa	371 aa	31.0 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 12	367 aa	363 aa	32.0 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 13	365 aa	366 aa	30.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Pre-SET motif family protein	0.0202	0.5967	0.6356
Toxoplasma gondii	exonuclease III APE	0.0038	0.0536	0.4939
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0305	0.9388	0.9388
Toxoplasma gondii	hypothetical protein	0.0052	0.0992	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0313	0.9654	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0051	0.095	0.1012
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0536	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0089	0.2216	0.2176
Brugia malayi	Pre-SET motif family protein	0.0029	0.0222	0.0236
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0058	0.1179	0.189
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0313	0.9654	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0058	0.1179	0.1653
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2359	0.21
Mycobacterium tuberculosis	Conserved protein	0.0035	0.042	0.05
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0045	0.077	0.077
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0025	0.0091	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2359	0.21
Onchocerca volvulus		0.0035	0.042	0.0297
Plasmodium vivax	SET domain protein, putative	0.0029	0.0222	0.2934
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0025	0.0091	0.0185
Brugia malayi	TAZ zinc finger family protein	0.0102	0.2651	0.2824
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0038	0.0536	0.0676
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0025	0.0091	0.0185
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0822	0.0436
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.042	0.05
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0313	0.9654	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0536	0.0536
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.042	0.0447
Onchocerca volvulus		0.0035	0.042	0.0297
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.077	0.077
Mycobacterium ulcerans	hypothetical protein	0.017	0.4917	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.042	0.0216
Schistosoma mansoni	ap endonuclease	0.0038	0.0536	0.0621
Echinococcus granulosus	CREB binding protein	0.0063	0.1351	0.1266
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.3862	0.4114
Mycobacterium tuberculosis	Conserved protein	0.0035	0.042	0.05
Echinococcus granulosus	mitogen activated protein kinase 14	0.0305	0.9388	1
Brugia malayi	beta-lactamase family protein	0.0035	0.042	0.0447
Echinococcus granulosus	L aminoadipate semialdehyde	0.0089	0.2216	0.2206
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0038	0.0536	0.0343
Echinococcus multilocularis	CREB binding protein	0.007	0.1585	0.1488
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0222	0.0038
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0536	0.0126
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0313	0.9654	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.042	0.0392
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0054	0.105	0.1118
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0153	0.4343	0.4343
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0896	0.0955
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0305	0.9388	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0313	0.9654	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0896	0.0955
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.042	0.05
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.3862	0.7189
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0222	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2216	0.2361
Echinococcus granulosus	geminin	0.0181	0.5286	0.5542
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.042	0.05
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0045	0.077	0.077
Mycobacterium tuberculosis	Conserved protein	0.0035	0.042	0.05
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.3862	0.3972
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0102	0.2651	0.4797
Giardia lamblia	Kinase, PLK	0.0093	0.2359	0.2
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.2359	0.3204
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0153	0.4337	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.042	0.05
Onchocerca volvulus		0.0089	0.2216	0.2989
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0852	0.0907
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.042	0.042
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.042	0.7391
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.1179	0.2398
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0058	0.1179	0.1256
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0378	0.0403
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.042	0.0774
Mycobacterium tuberculosis	Conserved hypothetical protein	0.017	0.4917	0.7332
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2359	0.21
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0038	0.0536	0.0465
Mycobacterium ulcerans	lipase LipD	0.0035	0.042	0.0854
Leishmania major	hypothetical protein, conserved	0.0035	0.042	0.042
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0822	0.0436
Trypanosoma brucei	hypothetical protein, conserved	0.0025	0.0091	0.0091
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2359	0.21
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.042	0.05
Schistosoma mansoni	CREB-binding protein 2	0.0102	0.2651	0.4797
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0378	0.0403
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.2359	0.2362
Mycobacterium ulcerans	hypothetical protein	0.0035	0.042	0.0854
Treponema pallidum	fructose-bisphosphate aldolase	0.0313	0.9654	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.3862	0.4114
Brugia malayi	exodeoxyribonuclease III family protein	0.0038	0.0536	0.0571
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.077	0.077
Onchocerca volvulus		0.023	0.6894	1
Brugia malayi	beta-lactamase	0.0035	0.042	0.0447
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.2359	0.2359
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0089	0.2216	0.3939
Brugia malayi	beta-lactamase family protein	0.0035	0.042	0.0447
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0038	0.0536	0.0465
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0536	0.0126
Schistosoma mansoni	kinase	0.0048	0.0862	0.1265
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0536	0.0536
Schistosoma mansoni	hypothetical protein	0.0181	0.5286	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0038	0.0536	0.109
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.6673	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0378	0.031
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0038	0.0536	0.0571
Loa Loa (eye worm)	CBP-B	0.0071	0.1615	0.172
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0153	0.4337	0.6451
Brugia malayi	Cytochrome P450 family protein	0.0051	0.095	0.1012
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.2359	0.2372
Trypanosoma brucei	polo-like protein kinase	0.0093	0.2359	0.2359
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0305	0.9388	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.3862	0.7189
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2359	0.21
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0305	0.9388	0.9388
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.042	0.0854
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.3862	0.3995
Loa Loa (eye worm)	hypothetical protein	0.0035	0.042	0.0447
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2359	0.21
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0323	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.042	0.0447
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.2359	0.2359
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0153	0.4343	0.4343
Echinococcus granulosus	mitogen activated protein kinase 11	0.0305	0.9388	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.042	0.05
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0153	0.4337	0.8821
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0305	0.9388	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0536	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.042	0.0854
Giardia lamblia	Fructose-bisphosphate aldolase	0.0313	0.9654	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.042	0.0447
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.042	0.05
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0222	0.0236
Schistosoma mansoni	ap endonuclease	0.0038	0.0536	0.0621
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.2359	0.2332
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.2359	0.2513
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.2359	0.2513
Echinococcus granulosus	CREB binding protein	0.0102	0.2651	0.2678
Mycobacterium leprae	Probable lipase LipE	0.0035	0.042	0.0774
Toxoplasma gondii	ABC1 family protein	0.0035	0.042	0.3651
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.3862	0.3972
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0305	0.9388	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0055	0.11	0.11
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0038	0.0536	0.038
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.042	0.0254
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0038	0.0536	0.0536
Leishmania major	phosphopantetheinyl transferase-like protein	0.0025	0.0091	0.0091
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0305	0.9388	0.9388
Loa Loa (eye worm)	beta-lactamase	0.0035	0.042	0.0447
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0058	0.1179	0.2398
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.042	0.042
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.3862	0.7189
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0089	0.2216	0.2361
Onchocerca volvulus		0.0035	0.042	0.0297
Trichomonas vaginalis	set domain proteins, putative	0.023	0.6894	0.7011
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0313	0.9654	1
Brugia malayi	P38 map kinase family protein 2	0.0305	0.9388	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.042	0.0447
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0313	0.9654	1
Schistosoma mansoni	hypothetical protein	0.0181	0.5286	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.3862	0.3995
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.1179	0.1044
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.2359	0.2359
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0896	0.0955
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.2359	0.4221
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.042	0.0392
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0058	0.1179	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0035	0.042	0.0447
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.5967	0.6356
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0058	0.1179	0.1179
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0305	0.9388	1
Echinococcus multilocularis	geminin	0.0181	0.5286	0.5524
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0323	1	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0153	0.4343	0.4343
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0323	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0313	0.9654	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0313	0.9654	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.042	0.042
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.2359	0.21
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0038	0.0536	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0035	0.042	0.0447
Mycobacterium ulcerans	beta-lactamase	0.0035	0.042	0.0854
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0038	0.0536	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0313	0.9654	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0896	0.0955
Loa Loa (eye worm)	hypothetical protein	0.0035	0.042	0.0447
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0305	0.9388	0.9388

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2 nM	Inhibitory activity of the compound against mouse Mitogen-activated protein kinase p38	ChEMBL.	12482438
IC50 (binding)	= 2 nM	Inhibitory activity of the compound against mouse Mitogen-activated protein kinase p38	ChEMBL.	12482438
IC50 (functional)	= 5 nM	Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA	ChEMBL.	12482438
IC50 (functional)	= 5 nM	Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA	ChEMBL.	12482438
IC50 (functional)	= 20 nM	Inhibition of LPS-induced release of TNF-alpha from human whole blood	ChEMBL.	12482438
IC50 (functional)	= 20 nM	Inhibition of LPS-induced release of TNF-alpha from human whole blood	ChEMBL.	12482438

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

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 151741