TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.479 | Formula: C23H26N4O
H donors: 1 H acceptors: 3 LogP: 4.93 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)c1cccc(c1)CC)c1ccnc(n1)N[C@H](c1ccccc1)C
InChi: 1S/C23H26N4O/c1-4-18-10-9-13-20(16-18)22(28)27(5-2)21-14-15-24-23(26-21)25-17(3)19-11-7-6-8-12-19/h6-17H,4-5H2,1-3H3,(H,24,25,26)/t17-/m0/s1
InChiKey: KILDPOAUKNGBJP-KRWDZBQOSA-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 14	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	mitogen activated protein kinase 14	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
Brugia malayi	P38 map kinase family protein 2	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
Trypanosoma congolense	mitogen-activated protein kinase 3, putative	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
Candida albicans	MAP kinase involved in osmoregulation	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
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
Echinococcus multilocularis	mitogen activated protein kinase 14	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
Leishmania mexicana	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
Echinococcus multilocularis	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
Leishmania major	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
Echinococcus granulosus	mitogen activated protein kinase 11	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
Echinococcus multilocularis	mitogen activated protein kinase 14	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 14	360 aa	336 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.024	0.0518
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.024	0.0518
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0058	0.0864	1
Echinococcus granulosus	single minded 2	0.0036	0.0384	0.0384
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.1082	0.2341
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0092	0.1601	0.4084
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0092	0.1601	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0058	0.0864	0.1864
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0231	0.4635	0.7813
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0092	0.1601	0.4123
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0092	0.1601	0.4084
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.5933	1
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0231	0.4635	0.4635
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0092	0.1601	0.4123
Plasmodium vivax	SET domain protein, putative	0.003	0.024	0.2781
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.029	0.5933	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0476	1	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0231	0.4635	0.7813
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0097	0.1716	0.1716
Brugia malayi	Cytochrome P450 family protein	0.0212	0.4237	0.4237
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0092	0.1601	0.4084
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0231	0.4635	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.1082	0.2341
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0092	0.1601	0.3454
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0058	0.0864	0.1864
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0092	0.1601	0.4123
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0092	0.1601	0.4084
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0092	0.1601	0.4084
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0092	0.1601	0.4123
Echinococcus granulosus	cytochrome P450 2K1	0.0092	0.1601	0.1601
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0216	0.0216
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0172	0.3364	1
Trichomonas vaginalis	ap endonuclease, putative	0.0058	0.0864	0.1457
Schistosoma mansoni	single-minded	0.0049	0.0662	0.1427
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0092	0.1601	0.4084
Brugia malayi	cytochrome P450	0.0092	0.1601	0.1601
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0092	0.1601	0.4123
Brugia malayi	P38 map kinase family protein 2	0.0152	0.2918	0.2918
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1356	0.1356
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0092	0.1601	0.4123
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0092	0.1601	0.3454
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0092	0.1601	0.4123
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.2918	0.2918
Giardia lamblia	Fructose-bisphosphate aldolase	0.029	0.5933	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0142	0.269	1
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0092	0.1601	0.4084
Brugia malayi	Cytochrome P450 family protein	0.0092	0.1601	0.1601
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.2918	0.2918
Loa Loa (eye worm)	cytochrome P450	0.0092	0.1601	0.1601
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0092	0.1601	0.4084
Schistosoma mansoni	aryl hydrocarbon receptor	0.0049	0.0662	0.1427
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0231	0.4635	0.7813
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0068	0.1082	0.1082
Brugia malayi	Pre-SET motif family protein	0.0206	0.4107	0.4107
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0837	0.0837
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0142	0.269	0.7736
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0092	0.1601	0.4084
Schistosoma mansoni	ap endonuclease	0.0058	0.0864	0.1864
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0092	0.1601	0.4084
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0231	0.4635	0.7813
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.5933	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0058	0.0864	0.1457
Schistosoma mansoni	peptidase	0.0019	0.0012	0.0026
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0092	0.1601	0.4084
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0058	0.0864	0.0864
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.024	0.024
Brugia malayi	exodeoxyribonuclease III family protein	0.0058	0.0864	0.0864
Schistosoma mansoni	hypothetical protein	0.0097	0.1716	0.3701
Brugia malayi	Cytochrome P450 family protein	0.0172	0.3364	0.3364
Brugia malayi	bHLH-PAS transcription factor	0.0036	0.0384	0.0384
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.2918	0.2918
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0058	0.0864	0.0864
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0231	0.4635	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0058	0.0864	0.1611
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0092	0.1601	0.4123
Echinococcus multilocularis	ubiquitin specific protease 41	0.0231	0.4635	0.4635
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0092	0.1601	0.4123
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.1082	0.2334
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0092	0.1601	0.4123
Loa Loa (eye worm)	cytochrome P450 family protein	0.0212	0.4237	0.4237
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.2918	0.2918
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0092	0.1601	0.4084
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0092	0.1601	0.4123
Leishmania major	cytochrome p450-like protein	0.0092	0.1601	0.3454
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0092	0.1601	0.4123
Echinococcus multilocularis	transfer RNA-Lys	0.0036	0.0384	0.0384
Leishmania major	cytochrome p450-like protein	0.0092	0.1601	0.3454
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0058	0.0864	0.1457
Loa Loa (eye worm)	hypothetical protein	0.0231	0.4635	0.4635
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.024	0.024
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0231	0.4635	0.4635
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.024	0.024
Brugia malayi	PAS domain containing protein	0.0049	0.0662	0.0662
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.029	0.5933	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0057	0.0837	0.1806
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.2918	0.2918
Schistosoma mansoni	cytochrome P450	0.0092	0.1601	0.3454
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.2918	0.6296
Loa Loa (eye worm)	CYP4Cod1	0.0172	0.3364	0.3364
Brugia malayi	Pre-SET motif family protein	0.003	0.024	0.024
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0068	0.1082	0.2334
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0058	0.0864	0.0146
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.2918	0.2918
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0092	0.1601	0.4123
Brugia malayi	hypoxia-induced factor 1	0.0151	0.2901	0.2901
Toxoplasma gondii	exonuclease III APE	0.0058	0.0864	0.5397
Schistosoma mansoni	ap endonuclease	0.0058	0.0864	0.1864
Trichomonas vaginalis	conserved hypothetical protein	0.0231	0.4635	0.7813
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.2918	0.2918
Treponema pallidum	fructose-bisphosphate aldolase	0.029	0.5933	1
Schistosoma mansoni	hypothetical protein	0.0092	0.1601	0.3454
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0092	0.1601	0.4123
Brugia malayi	Cytochrome P450 family protein	0.0172	0.3364	0.3364
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0092	0.1601	0.4084
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0057	0.0837	0.1806
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.4731	0.7975
Loa Loa (eye worm)	cytochrome P450 family protein	0.0172	0.3364	0.3364
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.0753	0.0753
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0092	0.1601	0.4123
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.024	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3178	0.3178
Onchocerca volvulus		0.0036	0.0384	0.0811
Echinococcus granulosus	ubiquitin specific protease 41	0.0231	0.4635	0.4635
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0142	0.269	1
Brugia malayi	follicle stimulating hormone receptor	0.0227	0.4562	0.4562
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.5933	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.5933	1
Brugia malayi	hypothetical protein	0.0164	0.3178	0.3178
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0092	0.1601	0.4123
Echinococcus granulosus	survival motor neuron protein 1	0.0476	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.024	0.024
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.024	0.1501
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0092	0.1601	0.3454
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0058	0.0864	0.5
Toxoplasma gondii	aldehyde dehydrogenase	0.0068	0.1082	0.6756
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0231	0.4635	0.4635
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0227	0.4562	0.4562
Trichomonas vaginalis	ap endonuclease, putative	0.0058	0.0864	0.1457
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0058	0.0864	0.1864
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.024	0.0518
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.1082	0.2341
Trypanosoma cruzi	cytochrome P450, putative	0.0172	0.3364	0.7259
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0837	0.0837
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0092	0.1601	0.4123
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.2918	0.6296
Echinococcus multilocularis		0.0092	0.1601	0.1601
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.5933	1
Onchocerca volvulus		0.003	0.024	0.0508
Trypanosoma cruzi	cytochrome P450, putative	0.0172	0.3364	0.7259
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.2918	0.6296
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0092	0.1601	0.4084
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0068	0.1082	0.132
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0837	0.1521
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0231	0.4635	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0092	0.1601	0.3454
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.5933	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0231	0.4635	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.0837	0.0837
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0231	0.4635	1
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0231	0.4635	0.4635
Loa Loa (eye worm)	hypothetical protein	0.0476	1	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0092	0.1601	0.3454
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0092	0.1601	0.4123
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.2918	0.6296
Loa Loa (eye worm)	cytochrome P450 family protein	0.0172	0.3364	0.3364
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0092	0.1601	0.4084
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.4107	0.4107
Leishmania major	cytochrome p450-like protein	0.0172	0.3364	0.7259
Onchocerca volvulus		0.0235	0.4731	1
Trypanosoma brucei	cytochrome P450, putative	0.0172	0.3364	0.7259
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0092	0.1601	0.4123
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0837	0.1521
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0092	0.1601	0.4084
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0092	0.1601	0.4084
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0231	0.4635	0.4635
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0092	0.1601	0.4084
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0068	0.1082	0.1082
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.1082	0.2334
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0092	0.1601	0.4123
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0231	0.4635	1
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0092	0.1601	0.4084
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0092	0.1601	0.4084
Schistosoma mansoni	survival motor neuron protein	0.0097	0.1716	0.3701
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0151	0.2901	0.2901
Onchocerca volvulus		0.0097	0.1716	0.3626
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.5933	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0058	0.0864	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.5933	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0058	0.0864	0.0864
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0058	0.0864	0.1864

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.065 uM	Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting	ChEMBL.	20346659
IC50 (functional)	= 0.152 uM	Antiinflammatory activity against LPS-induced TNFalpha production in human diluted whole blood administered 15 mins before LPS treatment after 2 hrs by ELISA	ChEMBL.	20346659

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20346659

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: CHEMBL1092693

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 1121624