TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 588.676 | Formula: C27H36N6O7S
H donors: 6 H acceptors: 7 LogP: 0.46 Rotable bonds: 18
Rule of 5 violations (Lipinski): 3
SMILES: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(=N)N)CCC(=O)N)NS(=O)(=O)Cc1cccc(c1)C(=O)O)C
InChi: 1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)32-21(11-12-22(28)34)25(35)31-14-17-7-9-19(10-8-17)24(29)30/h4-10,13,16,21,23,33H,3,11-12,14-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1
InChiKey: UOQJQMMSQNJBLQ-YROCYRMSSA-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	coagulation factor XI	Starlite/ChEMBL	References
Homo sapiens	coagulation factor VII (serum prothrombin conversion accelerator)	Starlite/ChEMBL	References
Homo sapiens	coagulation factor II (thrombin)	Starlite/ChEMBL	References
Homo sapiens	coagulation factor X	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	PAN domain-containing protein	Get druggable targets OG5_134971	All targets in OG5_134971
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Toxoplasma gondii	PAN domain-containing protein	Get druggable targets OG5_134971	All targets in OG5_134971
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	glycoprotein Antigen 5	coagulation factor VII (serum prothrombin conversion accelerator)	466 aa	384 aa	23.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0015	0.0118	0.1131
Loa Loa (eye worm)	cytochrome P450 family protein	0.0018	0.022	0.0652
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0037	0.0712	0.6826
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0047	0.0985	0.2921
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.0118	0.035
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Onchocerca volvulus		0.005	0.1043	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0803	0.088
Toxoplasma gondii	PAN domain-containing protein	0.0023	0.0338	0.0371
Toxoplasma gondii	kringle domain-containing protein	0.0021	0.0295	0.0323
Toxoplasma gondii	subtilisin SUB12	0.0023	0.0338	0.0371
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0138	0.3371	0.3371
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0338	0.1003
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0118	0.0351
Brugia malayi	EGF-like domain containing protein	0.0014	0.0099	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Entamoeba histolytica	hypothetical protein	0.0075	0.1721	0.693
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0338	0.1003
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.005	0.1043	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0496	0.1472
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0015	0.0118	0.1131
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0015	0.0118	0.1131
Schistosoma mansoni	cell polarity protein	0.0014	0.0099	0.0099
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0102	0.0102
Mycobacterium ulcerans	acyl-CoA synthetase	0.0015	0.0118	0.1131
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0015	0.0118	0.1131
Echinococcus granulosus	neurogenic locus notch protein	0.0014	0.0099	0.0099
Schistosoma mansoni	hypothetical protein	0.0014	0.0099	0.0099
Echinococcus granulosus	Niemann Pick C1 protein	0.0146	0.3588	0.3588
Brugia malayi	GCC2 and GCC3 family protein	0.0014	0.0099	0.0293
Echinococcus multilocularis	neurogenic locus notch protein	0.0014	0.0099	0.0099
Echinococcus granulosus	neurogenic locus notch protein	0.0014	0.0099	0.0099
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0129	0.0129
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0047	0.0985	0.2921
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0027	0.0454	0.1348
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0015	0.0118	0.1131
Loa Loa (eye worm)	acetyltransferase	0.0138	0.3371	1
Brugia malayi	Trypsin-like protease protein 5	0.0015	0.0118	0.0351
Brugia malayi	AMP-binding enzyme family protein	0.005	0.1043	0.3094
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Toxoplasma gondii	PAN domain-containing protein	0.0023	0.0338	0.0371
Leishmania major	acetyl-CoA synthetase, putative	0.0015	0.0118	0.1131
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0159	0.0471
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0015	0.0118	0.1131
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Loa Loa (eye worm)	cytochrome P450 family protein	0.0046	0.0958	0.2841
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0159	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0338	0.1003
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.005	0.1043	1
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0015	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0482	0.1431
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0338	0.1003
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0118	0.1131
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0015	0.0118	0.1131
Leishmania major	4-coumarate:coa ligase-like protein	0.005	0.1043	1
Loa Loa (eye worm)	notch protein	0.0014	0.0099	0.0293
Schistosoma mansoni	hypothetical protein	0.0075	0.1721	0.1721
Toxoplasma gondii	microneme protein MIC4	0.0023	0.0338	0.0371
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.0891	0.0891
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.005	0.1043	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.005	0.1043	1
Echinococcus multilocularis	Tolloid protein 1	0.0016	0.0159	0.0159
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Echinococcus multilocularis	expressed conserved protein	0.0096	0.2267	0.2267
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0014	0.0099	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Echinococcus multilocularis	notch	0.0014	0.0099	0.0099
Onchocerca volvulus		0.0023	0.0338	0.2537
Schistosoma mansoni	slit	0.0014	0.0099	0.0099
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.0118	0.035
Echinococcus multilocularis	cpg binding protein	0.0029	0.0495	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0159	0.0471
Toxoplasma gondii	PAN domain-containing protein	0.0356	0.913	1
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0015	0.0118	0.1131
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0118	0.1131
Echinococcus granulosus	protein jagged 1	0.0014	0.0099	0.0099
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0015	0.0118	0.1131
Echinococcus granulosus	protein jagged 2	0.0014	0.0099	0.0099
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0015	0.0118	0.1131
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0338	0.1003
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0015	0.0118	0.0118
Entamoeba histolytica	hypothetical protein	0.0075	0.1721	0.693
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0014	0.0099	0.0293
Loa Loa (eye worm)	cytochrome P450 family protein	0.0018	0.022	0.0652
Echinococcus multilocularis	laminin	0.0016	0.0159	0.0159
Echinococcus multilocularis	transmembrane protease serine 3	0.0015	0.0118	0.0118
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0015	0.0118	0.0118
Brugia malayi	EGF-like domain containing protein	0.0014	0.0099	0.0293
Onchocerca volvulus	Arrow homolog	0.0016	0.0159	0.0638
Mycobacterium ulcerans	acyl-CoA synthetase	0.0015	0.0118	0.1131
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0015	0.0118	0.035
Echinococcus granulosus	lamin	0.0029	0.0496	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0338	0.1003
Brugia malayi	Kringle domain containing protein	0.0021	0.0295	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0712	0.2112
Plasmodium falciparum	cysteine repeat modular protein 1	0.0021	0.0295	0.2963
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.1721	0.1721
Plasmodium vivax	acyl-CoA synthetase, putative	0.0037	0.0712	0.8667
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0712	0.2112
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0016	0.0159	0.0471
Echinococcus multilocularis	neural cadherin	0.0014	0.0099	0.0099
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.005	0.1043	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0159	0.0471
Entamoeba histolytica	acyl-CoA synthetase, putative	0.005	0.1043	0.4
Echinococcus granulosus	protein jagged 1	0.0014	0.0099	0.0099
Schistosoma mansoni	notch	0.0014	0.0099	0.0099
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0016	0.0159	0.0159
Onchocerca volvulus		0.0015	0.0118	0.0208
Schistosoma mansoni	hypothetical protein	0.0014	0.0099	0.0099
Schistosoma mansoni	hypothetical protein	0.0015	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.0301
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0104	0.2472	0.2472
Giardia lamblia	Histone acetyltransferase GCN5	0.0037	0.0714	1
Brugia malayi	Cytochrome P450 family protein	0.0018	0.022	0.0652
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0015	0.0118	0.0118
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0891	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0015	0.0118	0.1131
Schistosoma mansoni	hypothetical protein	0.0042	0.0849	0.0849
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0295	1
Toxoplasma gondii	microneme protein, putative	0.0023	0.0338	0.0371
Echinococcus multilocularis	lamin dm0	0.0029	0.0496	0.0496
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0129	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Schistosoma mansoni	patched 1	0.0044	0.0891	0.0891
Schistosoma mansoni	septate junction protein	0.0014	0.0099	0.0099
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0102	0.2431	1
Onchocerca volvulus		0.0015	0.0118	0.0208
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0013	0.0065	0.0619
Schistosoma mansoni	cpg binding protein	0.0029	0.0495	0.0495
Leishmania major	acetyl-CoA synthetase, putative	0.0015	0.0118	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0159	0.0471
Schistosoma mansoni	hypothetical protein	0.0015	0.0118	0.0118
Echinococcus multilocularis	glycoprotein Antigen 5	0.0015	0.0118	0.0118
Echinococcus granulosus	laminin	0.0016	0.0159	0.0159
Echinococcus granulosus	lamin dm0	0.0029	0.0496	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Trypanosoma cruzi	cytochrome P450, putative	0.0018	0.022	0.7463
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0015	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0338	0.1003
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0338	0.1003
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.1721	0.1721
Onchocerca volvulus		0.0023	0.0338	0.2537
Mycobacterium ulcerans	acyl-CoA synthetase	0.0015	0.0118	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0159	0.0471
Loa Loa (eye worm)	hypothetical protein	0.005	0.1043	0.3094
Loa Loa (eye worm)	hypothetical protein	0.005	0.1043	0.3094
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0295	0.0874
Echinococcus granulosus	GPCR family 2	0.0015	0.0129	0.0129
Brugia malayi	Trypsin family protein	0.0015	0.0118	0.0351
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0129	0.0129
Echinococcus granulosus	neurogenic locus notch protein 4	0.0014	0.0099	0.0099
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0015	0.0118	0.0129
Toxoplasma gondii	PAN domain-containing protein	0.0023	0.0338	0.0371
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0015	0.0118	0.1131
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Onchocerca volvulus		0.0023	0.0338	0.2537
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0118	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0088	0.026
Echinococcus multilocularis	musashi	0.0029	0.0496	0.0496
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0015	0.0118	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Schistosoma mansoni	laminin gamma-3 chain	0.0014	0.0099	0.0099
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0142	0.0422
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0659	0.6314
Brugia malayi	EGF-like domain containing protein	0.0014	0.0099	0.0293
Schistosoma mansoni	notch	0.0014	0.0099	0.0099
Brugia malayi	EGF-like domain containing protein	0.0014	0.0099	0.0293
Schistosoma mansoni	hypothetical protein	0.0042	0.0849	0.0849
Echinococcus granulosus	neural cadherin	0.0014	0.0099	0.0099
Echinococcus multilocularis	tissue type plasminogen activator	0.0021	0.0295	0.0295
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0015	0.0118	0.0118
Leishmania major	4-coumarate:coa ligase-like protein	0.005	0.1043	1
Trypanosoma cruzi	cytochrome P450, putative	0.0018	0.022	0.7463
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.005	0.1043	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0129	0.0129
Entamoeba histolytica	hypothetical protein	0.0075	0.1721	0.693
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0118	0.035
Brugia malayi	Cytochrome P450 family protein	0.0018	0.022	0.0652
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.0118	0.035
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0047	0.0985	0.2921
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0712	0.2112
Plasmodium falciparum	acyl-CoA synthetase	0.0037	0.0712	0.9963
Brugia malayi	AMP-binding enzyme family protein	0.005	0.1043	0.3094
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0118	0.0351
Schistosoma mansoni	cpg binding protein	0.0029	0.0495	0.0495
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0803	1
Echinococcus multilocularis	protein jagged 1	0.0014	0.0099	0.0099
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0015	0.0118	0.0118
Brugia malayi	Muscle positioning protein 4	0.0014	0.0099	0.0293
Onchocerca volvulus		0.0027	0.0454	0.3766
Brugia malayi	Trypsin family protein	0.0015	0.0118	0.0351
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0496	0.1472
Schistosoma mansoni	acetyl-CoA synthetase	0.0015	0.0118	0.0118
Brugia malayi	Fibulin-1 precursor	0.0016	0.0159	0.0471
Schistosoma mansoni	notch	0.0014	0.0099	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0338	0.1003
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0712	0.2112
Entamoeba histolytica	hypothetical protein	0.0075	0.1721	0.693
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0015	0.0118	0.0129
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0015	0.0118	0.0118
Schistosoma mansoni	hypothetical protein	0.0042	0.0849	0.0849
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Brugia malayi	EGF-like domain containing protein	0.0014	0.0099	0.0293
Echinococcus multilocularis	protein dispatched 1	0.005	0.1054	0.1054
Onchocerca volvulus		0.0029	0.0496	0.421
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0058	0.1263	0.1263
Toxoplasma gondii	microneme protein MIC17A	0.0023	0.0338	0.0371
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0099	0.0293
Schistosoma mansoni	hypothetical protein	0.0015	0.0129	0.0129
Onchocerca volvulus		0.0023	0.0338	0.2537
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0496	0.1472
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0023	0.0338	0.0371
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0985	0.2921
Toxoplasma gondii	hypothetical protein	0.0023	0.0338	0.0371
Brugia malayi	acetyltransferase, GNAT family protein	0.0138	0.3371	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Onchocerca volvulus		0.0023	0.0338	0.2537
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Echinococcus multilocularis	fibropellin Ia	0.0014	0.0099	0.0099
Onchocerca volvulus		0.0015	0.0118	0.0208
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0018	0.022	0.2108
Echinococcus granulosus	expressed conserved protein	0.0096	0.2267	0.2267
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0099	0.0293
Onchocerca volvulus		0.0023	0.0338	0.2537
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0015	0.0118	0.035
Echinococcus multilocularis	protein jagged 1	0.0014	0.0099	0.0099
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0014	0.0099	0.0099
Schistosoma mansoni	hypothetical protein	0.0014	0.0099	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Echinococcus granulosus	protein jagged 2	0.0014	0.0099	0.0099
Toxoplasma gondii	propionate-CoA ligase	0.0015	0.0118	0.0129
Echinococcus granulosus	transmembrane protease serine 3	0.0015	0.0118	0.0118
Schistosoma mansoni	hypothetical protein	0.0042	0.0849	0.0849
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0015	0.0118	0.1131
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0659	0.6314
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.0891	0.2643
Schistosoma mansoni	lamin	0.0029	0.0496	0.0496
Onchocerca volvulus		0.0015	0.0118	0.0204
Echinococcus multilocularis	lamin	0.0029	0.0496	0.0496
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0015	0.0118	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0159	0.0471
Brugia malayi	notch-like transmembrane receptor	0.0014	0.0099	0.0293
Brugia malayi	AMP-binding enzyme family protein	0.005	0.1043	0.3094
Schistosoma mansoni	notch	0.0014	0.0099	0.0099
Echinococcus multilocularis	protein patched	0.0044	0.0891	0.0891
Brugia malayi	hypothetical protein	0.0015	0.0118	0.0351
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0129	0.0384
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0015	0.0118	0.4005
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0015	0.0118	0.4005
Schistosoma mansoni	hypothetical protein	0.0021	0.0295	0.0295
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0015	0.0118	0.4005
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0129	0.0384
Brugia malayi	Delta serrate ligand family protein	0.0014	0.0099	0.0293
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0659	0.6314
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0803	0.0803
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0118	0.1131
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0102	0.0102
Echinococcus multilocularis	Niemann Pick C1 protein	0.0146	0.3588	0.3588
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0037	0.0712	0.6826
Brugia malayi	Trypsin family protein	0.0015	0.0118	0.0351
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.1043	1
Leishmania major	hypothetical protein, conserved	0.0021	0.0295	0.2825
Brugia malayi	Cytochrome P450 family protein	0.0046	0.0958	0.2841
Leishmania major	4-coumarate:coa ligase-like protein	0.005	0.1043	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0118	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0803	0.8867
Onchocerca volvulus		0.0015	0.0118	0.0208
Onchocerca volvulus		0.0023	0.0338	0.2537
Echinococcus granulosus	Tolloid protein 1	0.0016	0.0159	0.0159
Brugia malayi	CXXC zinc finger family protein	0.0027	0.0454	0.1348
Brugia malayi	Trypsin family protein	0.0015	0.0118	0.0351
Echinococcus multilocularis	enteropeptidase	0.0015	0.0118	0.0118
Onchocerca volvulus		0.0015	0.0118	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0891	0.2643
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0142	0.0422
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Mycobacterium ulcerans	acyl-CoA synthetase	0.0015	0.0118	0.1131
Echinococcus multilocularis	neurogenic locus protein delta	0.0014	0.0099	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Toxoplasma gondii	microneme protein MIC17B	0.0023	0.0338	0.0371
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0659	0.6314
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0014	0.0099	0.0099
Entamoeba histolytica	acyl-CoA synthetase, putative	0.005	0.1043	0.4
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0037	0.0712	0.5
Echinococcus granulosus	intermediate filament protein	0.0029	0.0496	0.0496
Schistosoma mansoni	notch	0.0014	0.0099	0.0099
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0015	0.0118	0.0118
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0295	0.0874
Loa Loa (eye worm)	hypothetical protein	0.005	0.1043	0.3094
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0015	0.0118	0.1131
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Loa Loa (eye worm)	trypsin family protein	0.0015	0.0118	0.0351
Echinococcus granulosus	cpg binding protein	0.0029	0.0495	0.0495
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0496	0.0496
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0016	0.0159	0.0471
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.1043	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.005	0.1043	1
Onchocerca volvulus		0.0029	0.0496	0.421
Plasmodium falciparum	histone acetyltransferase GCN5	0.0037	0.0714	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2431	0.7209
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.0118	0.035
Schistosoma mansoni	egf-like domain protein	0.0016	0.0159	0.0159
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0015	0.0118	0.5366
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1151	0.3415
Schistosoma mansoni	hypothetical protein	0.0015	0.0129	0.0129
Loa Loa (eye worm)	TK/ROR protein kinase	0.0021	0.0295	0.0874
Brugia malayi	Calcium binding EGF domain containing protein	0.0016	0.0159	0.0471
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0015	0.0118	0.5366
Echinococcus granulosus	fibropellin Ia	0.0014	0.0099	0.0099
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0015	0.0118	0.1131
Onchocerca volvulus		0.0015	0.0118	0.0204
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0496	0.1472
Echinococcus multilocularis	protein jagged 2	0.0014	0.0099	0.0099
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0338	0.1003
Loa Loa (eye worm)	CYP4Cod1	0.0018	0.022	0.0652
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.1721	0.1721
Onchocerca volvulus		0.0015	0.0118	0.0204
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0099	0.0293
Entamoeba histolytica	acetyltransferase, GNAT family	0.0037	0.0714	0.2578
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0015	0.0118	0.0118
Echinococcus granulosus	slit 2 protein	0.0014	0.0099	0.0099
Mycobacterium ulcerans	acyl-CoA synthetase	0.0015	0.0118	0.1131
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.1188	0.1302
Echinococcus multilocularis	slit 2 protein	0.0014	0.0099	0.0099
Loa Loa (eye worm)	Notch2	0.0014	0.0099	0.0293
Schistosoma mansoni	hypothetical protein	0.0014	0.0099	0.0099
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0159	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0118	0.0351
Brugia malayi	intermediate filament protein	0.0029	0.0496	0.1472
Schistosoma mansoni	cpg binding protein	0.0027	0.0454	0.0454
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0023	0.0338	0.0371
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0015	0.0118	0.1131
Onchocerca volvulus		0.0021	0.0295	0.2075
Echinococcus granulosus	Niemann Pick C1 protein	0.0102	0.2431	0.2431
Mycobacterium ulcerans	acyl-CoA synthetase	0.0015	0.0118	0.1131
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0015	0.0118	0.0118
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0134	0.3269	0.3269
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0118	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0118	0.0351
Toxoplasma gondii	EGF family domain-containing protein	0.0014	0.0099	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0129	0.0129
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0015	0.0118	0.035
Onchocerca volvulus		0.0015	0.0118	0.0204
Echinococcus granulosus	enteropeptidase	0.0015	0.0118	0.0118
Brugia malayi	hypothetical protein	0.0075	0.1721	0.5104
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Echinococcus multilocularis	neurogenic locus notch protein	0.0014	0.0099	0.0099
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0803	0.088
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0021	0.0295	0.2578
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0589	0.1747
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Echinococcus granulosus	neurogenic locus protein delta	0.0014	0.0099	0.0099
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0015	0.0118	0.0118
Mycobacterium ulcerans	hypothetical protein	0.005	0.1043	1
Onchocerca volvulus		0.0023	0.0338	0.2537
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0712	0.2112
Echinococcus granulosus	glycoprotein Antigen 5	0.0015	0.0118	0.0118
Brugia malayi	Niemann-Pick C1 protein precursor	0.0102	0.2431	0.7209
Onchocerca volvulus		0.0023	0.0338	0.2537
Toxoplasma gondii	microneme protein MIC17C	0.0023	0.0338	0.0371
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.1043	1
Schistosoma mansoni	hypothetical protein	0.0014	0.0099	0.0099
Entamoeba histolytica	acyl-coA synthetase, putative	0.005	0.1043	0.4
Toxoplasma gondii	PAN domain-containing protein	0.0023	0.0338	0.0371
Schistosoma mansoni	hypothetical protein	0.0015	0.0118	0.0118
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0015	0.0118	0.1131
Schistosoma mansoni	notch	0.0014	0.0099	0.0099
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0015	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0118	0.035
Echinococcus granulosus	notch	0.0014	0.0099	0.0099
Echinococcus granulosus	delta-like protein 1	0.0014	0.0099	0.0099
Onchocerca volvulus		0.0023	0.0338	0.2537
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0118	0.0351
Mycobacterium ulcerans	hypothetical protein	0.0015	0.0118	0.1134
Brugia malayi	latrophilin 2 splice variant baaae	0.0032	0.0589	0.1747
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0015	0.0118	0.0118
Brugia malayi	Cadherin domain containing protein	0.0014	0.0099	0.0293
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Echinococcus multilocularis	Niemann Pick C1 protein	0.0102	0.2431	0.2431
Echinococcus multilocularis	Mastin	0.0015	0.0118	0.0118
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.0891	0.0891
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0015	0.0118	0.035
Brugia malayi	Cadherin domain containing protein	0.0014	0.0099	0.0293
Brugia malayi	EGF-like domain containing protein	0.0014	0.0099	0.0293
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0015	0.0118	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0338	0.1003
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0015	0.0118	0.4005
Toxoplasma gondii	PAN domain-containing protein	0.0356	0.913	1
Toxoplasma gondii	hypothetical protein	0.0023	0.0338	0.0371
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.1043	1
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0015	0.0118	0.1131
Brugia malayi	PAN domain containing protein	0.0023	0.0338	0.1003
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.0891	0.0891
Onchocerca volvulus		0.0023	0.0338	0.2537
Mycobacterium ulcerans	acyl-CoA synthetase	0.0015	0.0118	0.1131
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0138	0.3371	0.3371
Schistosoma mansoni	hypothetical protein	0.0014	0.0099	0.0099
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0032	0.0589	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0088	0.026
Echinococcus granulosus	Mastin	0.0015	0.0118	0.0118
Brugia malayi	CHE-14 protein	0.0044	0.0891	0.2643
Echinococcus granulosus	tissue type plasminogen activator	0.0021	0.0295	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Leishmania major	cytochrome p450-like protein	0.0018	0.022	0.2108
Trypanosoma brucei	cytochrome P450, putative	0.0018	0.022	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0803	0.8867
Onchocerca volvulus		0.0015	0.0118	0.0208
Loa Loa (eye worm)	oxidoreductase	0.0015	0.0118	0.035
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0015	0.0118	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0338	0.1003
Brugia malayi	EGF-like domain containing protein	0.0014	0.0099	0.0293
Schistosoma mansoni	hypothetical protein	0.0015	0.0129	0.0129
Schistosoma mansoni	cercarial elastase (S01 family)	0.0015	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0099	0.0293
Schistosoma mansoni	lamin	0.0029	0.0496	0.0496
Schistosoma mansoni	hypothetical protein	0.0014	0.0099	0.0099
Echinococcus multilocularis	fibrillin 1	0.0016	0.0159	0.0159
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0159	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0129	0.0384
Echinococcus multilocularis	neurogenic locus protein delta	0.0014	0.0099	0.0099

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)		Inhibition of human factor 9a	ChEMBL.	18674905
Ki (binding)		Inhibition of human factor 12a	ChEMBL.	18674905
Ki (binding)	= 18 nM	Inhibition of human factor 7a-tissue factor complex	ChEMBL.	18674905
Ki (binding)	= 33 nM	Inhibition of human factor 11a	ChEMBL.	18674905
Ki (binding)	= 685 nM	Inhibition of human factor 10a	ChEMBL.	18674905
Ki (binding)	= 5731 nM	Inhibition of human thrombin	ChEMBL.	18674905

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: CHEMBL506240

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1180598