TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 604.952 | Formula: C30H32Cl3N3O4
H donors: 4 H acceptors: 4 LogP: 8.89 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=C(Nc1c(Cl)cc(cc1Cl)Cl)Nc1cc2ccccc2cc1C(=O)N[C@@H]([C@@H]1CC[C@@H](CC1)C(C)(C)C)C(=O)O
InChi: 1S/C30H32Cl3N3O4/c1-30(2,3)19-10-8-16(9-11-19)25(28(38)39)35-27(37)21-12-17-6-4-5-7-18(17)13-24(21)34-29(40)36-26-22(32)14-20(31)15-23(26)33/h4-7,12-16,19,25H,8-11H2,1-3H3,(H,35,37)(H,38,39)(H2,34,36,40)/t16-,19+,25-/m0/s1
InChiKey: LSCFRJCNVBODAO-WEVXLUSXSA-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	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	References
Homo sapiens	phosphorylase, glycogen, liver	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K00688 starch phosphorylase [EC2.4.1.1], putative	Get druggable targets OG5_126999	All targets in OG5_126999
Loa Loa (eye worm)	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Trichomonas vaginalis	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Schistosoma mansoni	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Entamoeba histolytica	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Cryptosporidium parvum	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma mansoni	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Neospora caninum	hypothetical protein	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	Glycogen phosphorylase, brain form, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	Glycosyl transferase, family 35	Get druggable targets OG5_126999	All targets in OG5_126999
Brugia malayi	carbohydrate phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	ko:K00688 starch phosphorylase [EC2.4.1.1], putative	Get druggable targets OG5_126999	All targets in OG5_126999
Giardia lamblia	Glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Chlamydia trachomatis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	Glycosyl transferase family 35	Get druggable targets OG5_126999	All targets in OG5_126999
Candida albicans	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Entamoeba histolytica	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Candida albicans	hypothetical protein	Get druggable targets OG5_126999	All targets in OG5_126999
Onchocerca volvulus	Glycogen phosphorylase homolog	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Cryptosporidium hominis	glycogen phosphorylase 1	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Trichomonas vaginalis	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.2367	0.5077
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0016	0.016	0.0343
Brugia malayi	jmjC domain containing protein	0.0059	0.1407	0.1899
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0514	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0514	0.0582
Onchocerca volvulus		0.0037	0.0783	0.0904
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0059	0.1407	0.3018
Echinococcus granulosus	lysine specific demethylase 6a	0.0016	0.016	0.0343
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0783	0.168
Echinococcus multilocularis	JmjC domain containing protein 4	0.0016	0.016	0.0343
Entamoeba histolytica	hypothetical protein	0.0041	0.0903	0.2598
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0277	0.0796
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.1407	0.3018
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Plasmodium vivax	SET domain protein, putative	0.0035	0.0723	0.9237
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0783	0.168
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0723	0.1552
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.016	0.0098
Schistosoma mansoni	glycogen phosphorylase	0.013	0.3475	0.7452
Brugia malayi	Cathepsin L-like precursor	0.002	0.0277	0.0373
Mycobacterium ulcerans	hypothetical protein	0.0188	0.5128	1
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0783	0.0983
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.031	0.3956
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0783	0.0802
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0514	0.0694
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0277	0.0593
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0025	0.0427	0.0427
Loa Loa (eye worm)	transcription factor SMAD2	0.0141	0.3775	0.5036
Brugia malayi	beta-lactamase family protein	0.0037	0.0783	0.1057
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0356	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Onchocerca volvulus		0.0279	0.778	1
Echinococcus multilocularis	phd:f box containing protein	0.0016	0.016	0.0343
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0514	0.0376
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0783	0.0949
Echinococcus multilocularis	jumonji domain containing 1A	0.0016	0.016	0.0343
Entamoeba histolytica	glycogenphosphorylase, putative	0.0056	0.1335	0.3843
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2367	0.5077
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Loa Loa (eye worm)	MH2 domain-containing protein	0.0141	0.3775	0.5036
Echinococcus granulosus	glycogen phosphorylase	0.013	0.3475	0.7452
Echinococcus granulosus	JmjC domain containing protein 4	0.0016	0.016	0.0343
Echinococcus multilocularis	geminin	0.0171	0.4663	1
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0903	0.1936
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.2367	0.3113
Echinococcus granulosus	geminin	0.0171	0.4663	1
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0514	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0783	0.0949
Plasmodium vivax	JmjC domain containing protein	0.0016	0.016	0.2039
Loa Loa (eye worm)	hypothetical protein	0.0021	0.031	0.0303
Onchocerca volvulus		0.0037	0.0783	0.0904
Echinococcus granulosus	cathepsin l1	0.002	0.0277	0.0593
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.0514	0.148
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0514	0.148
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0059	0.1407	0.3018
Echinococcus multilocularis	cysteine protease	0.002	0.0277	0.0593
Echinococcus multilocularis	lysine specific demethylase 6a	0.0016	0.016	0.0343
Leishmania major	cathepsin L-like protease	0.0075	0.188	0.1749
Trichomonas vaginalis	glycogen phosphorylase, putative	0.013	0.3475	0.4466
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.188	0.188
Onchocerca volvulus		0.002	0.0277	0.0245
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0277	0.0356
Brugia malayi	Pre-SET motif family protein	0.0035	0.0723	0.0976
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0025	0.0427	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0016	0.016	0.0098
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0783	0.1007
Onchocerca volvulus	Glycogen phosphorylase homolog	0.013	0.3475	0.4403
Brugia malayi	Cathepsin L-like precursor	0.002	0.0277	0.0373
Entamoeba histolytica	glycogen phosphorylase, putative	0.013	0.3475	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0088	0.0113
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0277	0.0593
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0277	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0783	0.0949
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0025	0.0427	0.0242
Entamoeba histolytica	glycogen phosphorylase, putative	0.0056	0.1335	0.3843
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0783	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.016	0.0098
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0903	0.1936
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0016	0.016	0.016
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0496	0.0557
Brugia malayi	hypothetical protein	0.0041	0.0903	0.1218
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0069	0.1692	0.1692
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0783	0.0802
Echinococcus granulosus	glycogen phosphorylase	0.013	0.3475	0.7452
Echinococcus granulosus	phd:f box containing protein	0.0016	0.016	0.0343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0016	0.016	0.016
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.2367	0.3195
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0277	0.0356
Entamoeba histolytica	cysteine protease, putative	0.002	0.0277	0.0796
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0514	0.0694
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0514	0.0424
Plasmodium falciparum	cysteine proteinase falcipain 3	0.002	0.0277	0.8932
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0016	0.016	0.016
Leishmania major	cathepsin L-like protease	0.002	0.0277	0.0119
Mycobacterium tuberculosis	Conserved protein	0.0025	0.0427	0.0237
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.0277	0.0593
Schistosoma mansoni	protein phosphatase 2C	0.0016	0.016	0.0343
Echinococcus granulosus	Glycosyl transferase family 35	0.013	0.3475	0.7452
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.0277	0.0593
Trichomonas vaginalis	set domain proteins, putative	0.0279	0.778	1
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0088	0.0119
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0088	0.0253
Toxoplasma gondii	ABC1 family protein	0.0037	0.0783	0.4575
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.005	0.1153	0.1153
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0783	0.1007
Brugia malayi	Cathepsin L-like precursor	0.002	0.0277	0.0373
Brugia malayi	MH2 domain containing protein	0.0141	0.3775	0.5095
Plasmodium vivax	vivapain-2	0.002	0.0277	0.3533
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.1407	0.1802
Trypanosoma brucei	hypothetical protein, conserved	0.0216	0.5964	0.5964
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.2367	0.5077
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0903	0.1936
Chlamydia trachomatis	glycogen phosphorylase	0.013	0.3475	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.016	0.0098
Schistosoma mansoni	jumonji domain containing protein	0.0016	0.016	0.0343
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0169	0.4578	0.449
Loa Loa (eye worm)	hypothetical protein	0.0021	0.031	0.0303
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.002	0.0277	0.8932
Leishmania major	hypothetical protein, conserved	0.0037	0.0783	0.0634
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0783	0.0802
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0783	0.1057
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.1407	0.3018
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0025	0.0427	0.0242
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0016	0.016	0.5155
Onchocerca volvulus		0.0037	0.0783	0.0904
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0723	0.1552
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0277	0.0356
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0783	0.0983
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0723	0.1552
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0514	0.036
Leishmania major	cathepsin L-like protease	0.002	0.0277	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0514	0.0582
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0514	0.0694
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0016	0.016	0.0343
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0514	0.036
Trypanosoma cruzi	hypothetical protein, conserved	0.0216	0.5964	0.5964
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0783	0.0802
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0277	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0783	0.0949
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0783	0.0983
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1523	0.2517
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0783	0.1007
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0514	0.148
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0783	0.0802
Brugia malayi	beta-lactamase family protein	0.0037	0.0783	0.1057
Schistosoma mansoni	hypothetical protein	0.0171	0.4663	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.188	0.188
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.1523	0.1974
Loa Loa (eye worm)	hypothetical protein	0.002	0.0277	0.0258
Schistosoma mansoni	phosphatidylserine receptor	0.0016	0.016	0.0343
Giardia lamblia	Glycogen phosphorylase	0.013	0.3475	0.5
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0025	0.0427	0.0427
Echinococcus multilocularis	cysteine protease	0.002	0.0277	0.0593
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0514	0.036
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0723	0.1552
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1523	0.2517
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0356	1	1
Schistosoma mansoni	jumonji domain containing protein	0.0059	0.1407	0.3018
Loa Loa (eye worm)	hypothetical protein	0.0021	0.031	0.0303
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0277	0.0356
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0088	0.0113
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0356	1	1
Leishmania major	cathepsin L-like protease	0.002	0.0277	0.0119
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0783	0.0802
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0277	0.0356
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0783	0.0783
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0783	0.168
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0723	0.1552
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0783	0.0802
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Plasmodium vivax	vivapain-2	0.002	0.0277	0.3533
Loa Loa (eye worm)	cysteine protease	0.002	0.0277	0.0258
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0277	0.0593
Brugia malayi	Cathepsin L-like precursor	0.002	0.0277	0.0373
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0723	0.1552
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0783	0.0783
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.1415	0.1415
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0088	0.0119
Brugia malayi	carbohydrate phosphorylase	0.013	0.3475	0.4689
Leishmania major	hypothetical protein, conserved	0.0216	0.5964	0.5898
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.188	0.188
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Entamoeba histolytica	hypothetical protein	0.0041	0.0903	0.2598
Entamoeba histolytica	hypothetical protein	0.0041	0.0903	0.2598
Echinococcus multilocularis	glycogen phosphorylase	0.013	0.3475	0.7452
Leishmania major	cathepsin L-like protease	0.002	0.0277	0.0119
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0496	0.0669
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0783	0.0983
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0783	0.1007
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0514	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0021	0.031	0.0303
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0016	0.016	0.0343
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0277	0.0258
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0514	0.0424
Entamoeba histolytica	glycogen phosphorylase, putative	0.013	0.3475	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.031	0.0303
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0277	0.0277
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0277	0.0593
Brugia malayi	jmjC domain containing protein	0.0016	0.016	0.0216
Loa Loa (eye worm)	ctsf protein	0.002	0.0277	0.0258
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.1523	0.1385
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0056	0.1335	0.1677
Onchocerca volvulus		0.002	0.0277	0.0245
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.031	0.0052
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0783	0.1007
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0783	0.0949
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.1523	0.3266
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.005	0.1153	0.1153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0277	0.0356
Leishmania major	cathepsin L-like protease	0.0075	0.188	0.1749
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0025	0.0427	0.0915
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2367	0.5077
Entamoeba histolytica	glycogen phosphorylase, putative	0.0056	0.1335	0.3843
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.1523	0.3266
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0514	0.0424
Leishmania major	cathepsin L-like protease	0.002	0.0277	0.0119
Echinococcus multilocularis	Glycosyl transferase, family 35	0.013	0.3475	0.7452
Schistosoma mansoni	glycogen phosphorylase	0.013	0.3475	0.7452
Echinococcus multilocularis	lysine specific demethylase 5A	0.0059	0.1407	0.3018
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0427	0.0242
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Brugia malayi	jmjC domain containing protein	0.0016	0.016	0.0216
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0783	0.0802
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0277	0.0245
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0277	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0514	0.0582
Onchocerca volvulus		0.002	0.0277	0.0245
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0025	0.0427	0.0237
Schistosoma mansoni	hypothetical protein	0.0171	0.4663	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.1523	0.3266
Toxoplasma gondii	cathepsin CPL	0.002	0.0277	0.0859
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.1523	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2367	0.5077
Onchocerca volvulus		0.0035	0.0723	0.0826
Trichomonas vaginalis	glycogen phosphorylase, putative	0.013	0.3475	0.4466
Brugia malayi	beta-lactamase	0.0037	0.0783	0.1057
Echinococcus granulosus	cathepsin l1	0.0013	0.0088	0.0189
Schistosoma mansoni	glycogen phosphorylase	0.0056	0.1335	0.2864
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.031	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.188	0.188
Brugia malayi	jmjC domain containing protein	0.0016	0.016	0.0216
Schistosoma mansoni	phd/f-box containing protein	0.0016	0.016	0.0343
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.005	0.1153	0.1153
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.1523	0.3266
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0277	0.0356
Brugia malayi	follicle stimulating hormone receptor	0.0267	0.741	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0088	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0783	0.0949
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0277	0.0356
Onchocerca volvulus		0.002	0.0277	0.0245
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0169	0.4578	0.4578
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0783	0.168
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0277	0.0593
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0783	0.0802
Trichomonas vaginalis	esterase, putative	0.0037	0.0783	0.1007
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0686	0.1471
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0267	0.741	1
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0277	0.0245
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0056	0.1335	0.2129
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0245	0.68	0.9166
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0783	0.0783
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.016	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0016	0.016	0.0098
Brugia malayi	cathepsin L-like precursor	0.0013	0.0088	0.0119
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0783	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Onchocerca volvulus		0.002	0.0277	0.0245
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0514	0.0424
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.002	0.0277	0.8932
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0723	0.4136
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0088	0.0119
Onchocerca volvulus	Cathepsin F homolog	0.002	0.0277	0.0245
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.6588	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0514	0.0424
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0783	0.0949
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0783	1
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0277	0.0796
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Mycobacterium ulcerans	lipase LipD	0.0037	0.0783	0.0983
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0783	0.0802
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0188	0.5128	0.7687
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0025	0.0427	0.0242
Loa Loa (eye worm)	glycogen phosphorylase	0.013	0.3475	0.4625
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Echinococcus multilocularis	glycogen phosphorylase	0.013	0.3475	0.7452
Brugia malayi	Cathepsin L-like precursor	0.002	0.0277	0.0373
Brugia malayi	Pre-SET motif family protein	0.0245	0.68	0.9176
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.2367	0.5077
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0723	0.1552
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.188	0.188
Toxoplasma gondii	hypothetical protein	0.0057	0.1366	0.8853
Leishmania major	cysteine peptidase A (CPA)	0.002	0.0277	0.0119
Onchocerca volvulus		0.002	0.0277	0.0245
Echinococcus granulosus	lysine specific demethylase 5A	0.0059	0.1407	0.3018
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.1153	0.1153
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0025	0.0427	0.0548
Brugia malayi	Cathepsin L-like precursor	0.002	0.0277	0.0373
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.2367	0.5077
Onchocerca volvulus		0.0028	0.0514	0.0554
Brugia malayi	jmjC domain containing protein	0.0059	0.1407	0.1899
Trypanosoma cruzi	hypothetical protein, conserved	0.0216	0.5964	0.5964
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0723	0.0868
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0277	0.0356
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0061	0.147	0.147
Echinococcus granulosus	citrate lyase subunit beta protein	0.0025	0.0427	0.0915
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0169	0.4578	0.4578
Schistosoma mansoni	hypothetical protein	0.0041	0.0903	0.1936
Echinococcus granulosus	jumonji domain containing 1A	0.0016	0.016	0.0343
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0514	0.0424
Onchocerca volvulus		0.002	0.0277	0.0245
Loa Loa (eye worm)	fibroinase	0.002	0.0277	0.0258
Leishmania major	cathepsin L-like protease	0.0075	0.188	0.1749
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0277	0.0593
Brugia malayi	jmjC domain containing protein	0.0016	0.016	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0783	0.0949
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0277	0.0356
Entamoeba histolytica	hypothetical protein	0.0041	0.0903	0.2598
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0277	0.0356
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0427	0.0242
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1523	0.2517

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 210 nM	Inhibition of CYP2C9	ChEMBL.	19095442
IC50 (binding)	= 556 nM	Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose	ChEMBL.	19095442
IC50 (binding)	= 2400 nM	Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis	ChEMBL.	19095442

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: CHEMBL480733

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 984657