TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 263.741 | Formula: C10H14ClNO3S
H donors: 0 H acceptors: 2 LogP: 1.77 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CCCCCn1sc(cc1=O)Cl
InChi: 1S/C10H14ClNO3S/c1-15-10(14)5-3-2-4-6-12-9(13)7-8(11)16-12/h7H,2-6H2,1H3
InChiKey: INYRXSOKQIQGSK-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	K(lysine) acetyltransferase 2B	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium berghei	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	Get druggable targets OG5_127781	All targets in OG5_127781
Brugia malayi	acetyltransferase, GNAT family protein	Get druggable targets OG5_127781	All targets in OG5_127781
Giardia lamblia	Histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Theileria parva	histone acetyltransferase Gcn5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Entamoeba histolytica	acetyltransferase, GNAT family	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	hypothetical protein	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma japonicum	ko:K06062 p300/CBP-associated factor, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium knowlesi	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium yoelii	histone acetyltransferase GCN5-related	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium vivax	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium hominis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium parvum	GCN5 like acetylase + bromodomain	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Babesia bovis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Loa Loa (eye worm)	acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	Bromodomain containing protein, related	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium falciparum	histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	Get druggable targets OG5_127781	All targets in OG5_127781

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
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0288	0.0701
Brugia malayi	MH2 domain containing protein	0.0134	0.2414	0.2388
Entamoeba histolytica	hypothetical protein	0.0036	0.0448	0.4098
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0641	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0149	0.0059
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0049	0.0721	0.069
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0041	0.0557	0.0513
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0288	0.0249
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0052	0.0783	0.0751
Brugia malayi	hypothetical protein	0.0019	0.0115	0.0082
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0641	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0855	0.0771
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0028	0.0297	0.0264
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0049	0.0721	0.0678
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0137	0.0137
Mycobacterium ulcerans	polyketide synthase	0.0052	0.0783	0.0746
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0448	0.0448
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0137	0.0103
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0175	0.3232	0.3232
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0448	0.0448
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0137	0.0137
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0288	0.0249
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0137	0.0137
Loa Loa (eye worm)	acyl carrier protein	0.0023	0.019	0.01
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0033	0.0388	0.2541
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0052	0.0783	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0296	0.5642	0.5602
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0149	0.0109
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0137	0.0137
Schistosoma mansoni	hypothetical protein	0.0018	0.0091	0.0091
Brugia malayi	nuclear receptor NHR-88	0.002	0.0137	0.0103
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0137	0.0103
Schistosoma mansoni	dihydrofolate reductase	0.0514	1	1
Brugia malayi	steroid hormone receptor	0.002	0.0137	0.0103
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0048	0.0691	0.066
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0048	0.0691	0.066
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0137	0.0137
Brugia malayi	Dihydrofolate reductase	0.0514	1	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0175	0.3232	0.3232
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0288	0.0701
Loa Loa (eye worm)	fatty acid synthase	0.0049	0.0708	0.0623
Onchocerca volvulus	Fatty acid synthase homolog	0.0089	0.1511	0.9318
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0137	0.0137
Mycobacterium ulcerans	polyketide synthase	0.0049	0.0721	0.0684
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0137	0.0103
Mycobacterium leprae	Polyketide synthase Pks13	0.0074	0.1208	0.1167
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0051	0.0765	0.1492
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0126	0.0093
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0049	0.0721	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0149	0.0059
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0074	0.1208	0.1178
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0137	0.0103
Echinococcus multilocularis	muscleblind protein	0.0296	0.5642	0.5642
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0149	0.0115
Entamoeba histolytica	hypothetical protein	0.0036	0.0448	0.4098
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0289	0.02
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0137	0.0137
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0054	0.0819	0.0787
Schistosoma mansoni	methyltransferase-related	0.0015	0.0034	0.0034
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0137	0.0137
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0137	0.0046
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0049	0.0721	0.0678
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0052	0.0783	0.074
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0052	0.0783	0.0751
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0137	0.0137
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0641	0.0641
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0288	0.0249
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0641	0.061
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0137	0.0103
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0091	0.0057
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0197	0.3661	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0448	0.4098
Mycobacterium ulcerans	polyketide synthase Pks13	0.0074	0.1208	0.1173
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0137	0.0137
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0288	0.0701
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0197	0.3661	1
Brugia malayi	hypothetical protein	0.0029	0.0323	0.029
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0137	0.0103
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0091	0.0091
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0052	0.0783	0.074
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0288	0.0199
Echinococcus multilocularis	dihydrofolate reductase	0.0514	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0855	0.0771
Mycobacterium ulcerans	thioesterase TesA	0.0041	0.0557	0.052
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0137	0.0137
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0288	0.0255
Brugia malayi	ecdysteroid receptor	0.002	0.0137	0.0103
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0049	0.0721	0.069
Loa Loa (eye worm)	MH2 domain-containing protein	0.0134	0.2414	0.2344
Onchocerca volvulus		0.0094	0.1612	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0049	0.0721	0.069
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0448	0.0448
Echinococcus granulosus	histone acetyltransferase KAT2B	0.017	0.3134	0.3134
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0137	0.0046
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0288	0.0249
Loa Loa (eye worm)	hypothetical protein	0.002	0.0137	0.0046
Echinococcus granulosus	dihydrofolate reductase	0.0514	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0137	0.0137
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0641	0.0641
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0137	0.0137
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0015	0.0046	0.0013
Mycobacterium ulcerans	polyketide synthase Pks9	0.0033	0.0388	0.035
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0288	0.0199
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0033	0.0388	0.0343
Brugia malayi	AMP-binding enzyme family protein	0.0054	0.0819	0.0787
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0288	0.0249
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.004	0.0529	0.0491
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0137	0.0137
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0137	0.0137
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0137	0.0046
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.004	0.0529	0.0485
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0323	0.0496
Loa Loa (eye worm)	hypothetical protein	0.002	0.0137	0.0046
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0015	0.004	0.0006
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0855	0.0824
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0054	0.0819	0.0734
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0137	0.0103
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0137	0.0137
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0032	0.0376	0.0348
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0137	0.0103
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0091	0.0091
Chlamydia trachomatis	dihydrofolate reductase	0.0514	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0137	0.0137
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0017	0.0076	0.0042
Toxoplasma gondii	type I fatty acid synthase, putative	0.0053	0.0805	0.1609
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0323	0.0496
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0126	0.0093
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0323	0.0193
Echinococcus multilocularis	muscleblind protein 1	0.0296	0.5642	0.5642
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0641	0.0641
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0091	0.0091
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0052	0.0783	0.074
Schistosoma mansoni	hypothetical protein	0.0018	0.0091	0.0091
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0288	0.0243
Giardia lamblia	Histone acetyltransferase GCN5	0.0047	0.0679	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0137	0.0046
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0074	0.1208	0.1178
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0051	0.0765	0.1492
Brugia malayi	AMP-binding enzyme family protein	0.0016	0.0062	0.0029
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0137	0.0103
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0137	0.0137
Schistosoma mansoni	hypothetical protein	0.0018	0.0091	0.0091
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0137	0.0137
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0137	0.0137
Schistosoma mansoni	hypothetical protein	0.0038	0.0501	0.0501
Loa Loa (eye worm)	hypothetical protein	0.002	0.0137	0.0046
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0093	0.1603	0.1574
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0091	0.0091
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0137	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0149	0.0059
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0288	0.0255
Entamoeba histolytica	acetyltransferase, GNAT family	0.0047	0.0679	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0051	0.0765	0.1754
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0197	0.3661	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0137	0.0137
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0137	0.0137
Leishmania major	hypothetical protein, conserved	0.0029	0.0323	0.0797
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0641	0.0641
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0035	0.0444	0.0412
Plasmodium falciparum	histone acetyltransferase GCN5	0.0047	0.0679	0.151
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0288	0.0199
Brugia malayi	nuclear hormone receptor	0.002	0.0137	0.0103
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.002	0.0135	0.0102
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0049	0.0721	0.0684
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0052	0.0783	0.0746
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.004	0.0542	0.051
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0033	0.0388	0.035
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0049	0.0721	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1413	0.1334
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0197	0.3661	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0049	0.0721	0.069
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0137	0.0103
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0137	0.0046
Loa Loa (eye worm)	hypothetical protein	0.002	0.0137	0.0046
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0137	0.0137
Brugia malayi	Muscleblind-like protein	0.0296	0.5642	0.5628
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0137	0.0137
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0137	0.0046
Loa Loa (eye worm)	hypothetical protein	0.002	0.0137	0.0046
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0091	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0149	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0137	0.0103
Schistosoma mansoni	coup transcription factor	0.002	0.0137	0.0137
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0051	0.0765	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0134	0.2414	0.2344
Loa Loa (eye worm)	acetyltransferase	0.0175	0.3232	0.317
Onchocerca volvulus		0.0054	0.0819	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0149	0.0059
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0137	0.0103
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0137	0.0046
Brugia malayi	hypothetical protein	0.0036	0.0448	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0296	0.5642	0.5602
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0137	0.0137
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0288	0.0255
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0641	0.0641
Brugia malayi	acetyltransferase, GNAT family protein	0.0175	0.3232	0.3209
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0137	0.0103
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0051	0.0765	1
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0514	1	1
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0041	0.0557	0.0525
Schistosoma mansoni	hypothetical protein	0.0036	0.0448	0.0448
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0137	0.0103
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0501	0.0469
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0137	0.0137
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0091	0.0091
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0137	0.0137
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0288	0.0243
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0197	0.3661	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0137	0.0046
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0288	0.0249
Loa Loa (eye worm)	hypothetical protein	0.002	0.0137	0.0046
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0126	0.0093
Entamoeba histolytica	hypothetical protein	0.0036	0.0448	0.4098
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0514	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0501	0.0414
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0323	0.0496
Echinococcus granulosus	GPCR family 2	0.0018	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0323	0.0234
Loa Loa (eye worm)	dihydrofolate reductase	0.0514	1	1
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0052	0.0783	0.0746
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.004	0.0529	0.0491
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0137	0.0046
Onchocerca volvulus		0.0028	0.0288	0.1026
Schistosoma mansoni	hypothetical protein	0.0018	0.0091	0.0091
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0288	0.0249
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0126	0.0093
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0288	0.0255
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0137	0.0103
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0137	0.0137
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0049	0.0721	0.0684
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0641	0.0556
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0855	0.0824
Mycobacterium ulcerans	thioesterase	0.0041	0.0557	0.052
Echinococcus granulosus	muscleblind protein	0.0296	0.5642	0.5642
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0514	1	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.0035	0.0438	0.0531
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0197	0.3661	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0288	0.0255
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0137	0.0137
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0137	0.0046
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.0765	0.0765
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0288	0.0249
Mycobacterium ulcerans	fatty acid synthase Fas	0.0015	0.0046	0.0007

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (ADMET)	= 2.9 uM	Cytotoxicity against HEK293 cells after 48 hrs by crystal violet staining	ChEMBL.	19111471
GI50 (functional)	= 5.6 uM	Cytotoxicity against human WiDr cells after 48 hrs by crystal violet staining	ChEMBL.	19111471
GI50 (functional)	= 7 uM	Cytotoxicity against human A2780 cells after 48 hrs by crystal violet staining	ChEMBL.	19111471
GI50 (functional)	= 9.4 uM	Cytotoxicity against human HepG2 cells after 48 hrs by crystal violet staining	ChEMBL.	19111471
IC50 (binding)	= 3.2 uM	Inhibition of human recombinant HAT PCAF	ChEMBL.	19111471

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

ChEMBL: CHEMBL442599

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 950135