TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 673.036 | Formula: C32H28ClF3N4O7
H donors: 2 H acceptors: 4 LogP: 4.88 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(cc2C(F)(F)F)Cl)N=C(c2c1cccc2)c1ccc(cc1)OC
InChi: 1S/C32H28ClF3N4O7/c1-45-21-12-9-19(10-13-21)29-22-6-3-4-7-26(22)40(17-27(41)37-15-5-8-28(42)46-2)30(43)25(38-29)18-47-31(44)39-24-14-11-20(33)16-23(24)32(34,35)36/h3-14,16,25H,15,17-18H2,1-2H3,(H,37,41)(H,39,44)/b8-5+/t25-/m1/s1
InChiKey: LTEVKXRSBMANJL-JLEGMICCSA-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	cathepsin B	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma brucei	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	SmCB2 peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Toxoplasma gondii	cathepsin B	Get druggable targets OG5_127800	All targets in OG5_127800
Brugia malayi	cathepsin B-like cysteine proteinase	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania mexicana	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania donovani	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania infantum	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	ko:K01363 cathepsin B [EC3.4.22.1], putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Neospora caninum	Cathepsin B-like protease (Precursor), related	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma brucei gambiense	cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	cathepsin B	Get druggable targets OG5_127800	All targets in OG5_127800
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania braziliensis	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	Get druggable targets OG5_127800	All targets in OG5_127800
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	dipeptidyl aminopeptidase 1	cathepsin B	339 aa	368 aa	26.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0065	0.1676	0.1676
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0207	0.5801	1
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0014	0.0184	0.1642
Entamoeba histolytica	hypothetical protein	0.0035	0.0801	0.6575
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0184	0.0317
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0184	0.0317
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.1188	1
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0065	0.0111
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0014	0.0184	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1676	0.2888
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.1676	0.2888
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0065	0.0065
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0057	0.0098
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0065	0.0065
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0065	0.0111
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0065	0.0065
Schistosoma mansoni	coup transcription factor	0.001	0.0065	0.0065
Schistosoma mansoni	acetyl-CoA synthetase	0.0014	0.0184	0.0184
Echinococcus multilocularis	nibrin	0.001	0.0057	0.0057
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0014	0.0184	0.112
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0014	0.0184	0.112
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0057	0.0057
Brugia malayi	hypothetical protein	0.001	0.0057	0.0098
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0098
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0065	0.0065
Echinococcus granulosus	cathepsin b	0.0166	0.4608	0.4608
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0184	0.0279
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0065	0.0065
Onchocerca volvulus		0.0014	0.0184	0.112
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0184	0.0317
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.1188	0.2048
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.2433	0.2433
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0065	0.0065
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0014	0.0184	0.1642
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0829	0.1429
Echinococcus granulosus	cathepsin b	0.0166	0.4608	0.4608
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0184	0.112
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.1364	0.1364
Schistosoma mansoni	hypothetical protein	0.0065	0.1676	0.1676
Brugia malayi	MH2 domain containing protein	0.0118	0.32	0.5516
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0065	0.0111
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0184	0.0317
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0065	0.0065
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0184	0.0317
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0184	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0829	0.1429
Onchocerca volvulus		0.0049	0.1188	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0065	0.0065
Brugia malayi	cathepsin B-like cysteine proteinase	0.0166	0.4608	0.7943
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0065	0.0111
Trichomonas vaginalis	antibiotic synthetase, putative	0.0014	0.0184	0.097
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0057	0.5
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0014	0.0184	0.0546
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0065	0.0065
Schistosoma mansoni	topbp1	0.001	0.0057	0.0057
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.32	0.5516
Schistosoma mansoni	hypothetical protein	0.0351	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0065	0.0065
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0014	0.0184	0.0317
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0207	0.5801	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0065	0.0068
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0014	0.0184	0.112
Echinococcus granulosus	GPCR family 2	0.0065	0.1676	0.1676
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.2433	0.2433
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0065	0.1676	0.1676
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0801	0.0801
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0771	0.6071
Schistosoma mansoni	hypothetical protein	0.0141	0.3891	0.3891
Schistosoma mansoni	hypothetical protein	0.0065	0.1676	0.1676
Plasmodium vivax	acyl-CoA synthetase, putative	0.0036	0.0829	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0065	0.0068
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.1188	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0065	0.0111
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0014	0.0184	0.112
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0829	0.1429
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0014	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0184	0.0317
Plasmodium falciparum	acyl-CoA synthetase	0.0036	0.0829	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0065	0.0065
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0184	0.0317
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0014	0.0184	0.097
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0014	0.0184	0.0546
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.1676	0.2888
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0065	0.0065
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.2433	0.4194
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0014	0.0184	0.112
Loa Loa (eye worm)	hypothetical protein	0.001	0.0065	0.0111
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.2433	0.4194
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0065	0.0111
Onchocerca volvulus		0.0014	0.0184	0.112
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0065	0.0065
Entamoeba histolytica	hypothetical protein	0.0035	0.0801	0.6575
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0184	0.112
Echinococcus multilocularis	cathepsin b	0.0166	0.4608	0.4608
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0065	0.0111
Giardia lamblia	Cathepsin B precursor	0.0055	0.1364	1
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0014	0.0184	0.112
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0065	0.0111
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0014	0.0184	0.112
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0098
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0065	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0829	0.1429
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0065	0.0111
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.1188	0.8513
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.2433	0.2433
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0055	0.1364	0.2872
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.001	0.0065	0.0111
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0014	0.0184	0.112
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0065	0.0111
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.32	0.5516
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0184	0.0546
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0065	0.0065
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.1188	1
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0014	0.0184	0.097
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0049	0.1188	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0184	0.0279
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0207	0.5801	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.001	0.0065	0.0111
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.4608	0.4608
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0184	0.0317
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0801	0.0801
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0014	0.0184	0.097
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.1188	0.2048
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0065	0.0111
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0065	0.0065
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0065	0.0111
Loa Loa (eye worm)	hypothetical protein	0.001	0.0065	0.0111
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0166	0.4608	0.7943
Schistosoma mansoni	DNA ligase IV	0.001	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1188	0.2048
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0065	0.0065
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0065	0.0111
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0184	0.0546
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0065	0.0111
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0065	0.0068
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.4608	0.4608
Brugia malayi	DKFZp564C0469 protein	0.001	0.0057	0.0098
Treponema pallidum	DNA ligase (lig)	0.001	0.0057	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.1188	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.1188	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0184	0.112
Giardia lamblia	Cathepsin B precursor	0.0055	0.1364	1
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0184	0.097
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.2433	0.2433
Schistosoma mansoni	hypothetical protein	0.0035	0.0801	0.0801
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0065	0.0111
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0055	0.1364	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0771	0.6071
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.1188	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0207	0.5801	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0065	0.0065
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0055	0.1364	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0829	0.1429
Echinococcus multilocularis	cathepsin b	0.0166	0.4608	0.4608
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0014	0.0184	0.112
Loa Loa (eye worm)	hypothetical protein	0.0141	0.3891	0.6708
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0065	0.0111
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0049	0.1188	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0098
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0184	0.112
Loa Loa (eye worm)	hypothetical protein	0.001	0.0065	0.0111
Entamoeba histolytica	acyl-coA synthetase, putative	0.0049	0.1188	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0065	0.0111
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0065	0.0111
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0014	0.0184	0.0546
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0184	0.112
Mycobacterium ulcerans	hypothetical protein	0.0049	0.1188	1
Brugia malayi	hypothetical protein	0.001	0.0057	0.0098
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0014	0.0184	0.112
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0057	0.0057
Toxoplasma gondii	propionate-CoA ligase	0.0014	0.0184	0.097
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0184	0.0317
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.1188	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0166	0.4608	0.4608
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0014	0.0184	0.0184
Brugia malayi	ecdysteroid receptor	0.001	0.0065	0.0111
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0065	0.1676	0.1676
Schistosoma mansoni	hypothetical protein	0.0065	0.1676	0.1676
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0166	0.4608	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1188	0.2048
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0801	0.0801
Toxoplasma gondii	cathepsin B	0.0055	0.1364	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0036	0.0829	0.6822
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0771	0.6071
Brugia malayi	steroid hormone receptor	0.001	0.0065	0.0111
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0098
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.001	0.0065	0.0111
Schistosoma mansoni	hypothetical protein	0.0351	1	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0036	0.0829	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0049	0.1188	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0065	0.0111
Echinococcus multilocularis	geminin	0.0351	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0065	0.0065
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0014	0.0184	0.0279
Onchocerca volvulus		0.0014	0.0184	0.112
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0184	0.0546
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0014	0.0184	0.112
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0014	0.0184	0.0546
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0065	0.0065
Onchocerca volvulus		0.0014	0.0184	0.112
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0065	0.0111
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0014	0.0184	0.0546
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0014	0.0184	0.0546
Brugia malayi	latrophilin 2 splice variant baaae	0.0141	0.3891	0.6708
Loa Loa (eye worm)	cathepsin B	0.0055	0.1364	0.2351
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.1188	0.2048
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0065	0.0111
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.2433	0.2433
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0065	0.0065
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0065	0.0065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.2433	0.2433
Brugia malayi	topoisomerase	0.001	0.0057	0.0098
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0065	0.0065
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.1188	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1188	0.2048
Loa Loa (eye worm)	hypothetical protein	0.001	0.0065	0.0111
Entamoeba histolytica	hypothetical protein	0.0035	0.0801	0.6575
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0065	0.0111
Brugia malayi	nuclear receptor NHR-88	0.001	0.0065	0.0111
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0184	0.112
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0184	0.112
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0049	0.1188	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0771	0.6071
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0057	0.0098
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.1188	0.8513
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.1188	0.8513
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0065	0.1676	0.1676
Entamoeba histolytica	hypothetical protein	0.0035	0.0801	0.6575
Echinococcus granulosus	nibrin	0.001	0.0057	0.0057
Schistosoma mansoni	hypothetical protein	0.0065	0.1676	0.1676
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0098
Giardia lamblia	Cathepsin B precursor	0.0055	0.1364	1
Echinococcus multilocularis	GPCR, family 2	0.0065	0.1676	0.1676
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0065	0.0065
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0036	0.0829	0.6617
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0065	0.0111
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0065	0.0111
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0014	0.0184	0.112
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0014	0.0184	0.112
Brugia malayi	hypothetical protein	0.0035	0.0801	0.1381
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.4608	0.4608
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.2433	0.2433
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0055	0.1364	1
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0184	0.0317
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0049	0.1188	1
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.1676	0.2888
Trichomonas vaginalis	antibiotic synthetase, putative	0.0014	0.0184	0.097
Schistosoma mansoni	topbp1	0.001	0.0057	0.0057
Mycobacterium ulcerans	acyl-CoA synthetase	0.0014	0.0184	0.112
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0014	0.0184	0.0546
Brugia malayi	nuclear hormone receptor	0.001	0.0065	0.0111
Onchocerca volvulus		0.001	0.0065	0.0068

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 10.9 uM	Inhibition of human cathepsin B	ChEMBL.	20598553
Ki (binding)	= 59.9 uM	Inhibition of human cathepsin L	ChEMBL.	20598553
Ki (binding)	> 100 uM	Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min	ChEMBL.	20598553

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: CHEMBL1171634

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1139714