TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 555.108 | Formula: C30H39ClN4O4
H donors: 2 H acceptors: 3 LogP: 3.11 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=C(C1N(CCCN2CCCCC2)C(=O)C2C31C=CC(O3)C2C(=O)Nc1cccc(c1)Cl)NC1CCCCC1
InChi: 1S/C30H39ClN4O4/c31-20-9-7-12-22(19-20)33-27(36)24-23-13-14-30(39-23)25(24)29(38)35(18-8-17-34-15-5-2-6-16-34)26(30)28(37)32-21-10-3-1-4-11-21/h7,9,12-14,19,21,23-26H,1-6,8,10-11,15-18H2,(H,32,37)(H,33,36)
InChiKey: VNNHQAPDLJYJND-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	ATP synthase subunit beta, mitochondrial, putative	0.0035	0.0171	0.1762
Mycobacterium tuberculosis	Probable ATP synthase beta chain AtpD	0.0081	0.0469	0.0469
Mycobacterium leprae	PROBABLE ATP SYNTHASE DELTA CHAIN ATPH	0.0324	0.2045	0.2061
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit epsilon	0.0064	0.036	0.1829
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0225	0.0225
Trypanosoma cruzi	V-type proton ATPase subunit B, putative	0.0021	0.0076	0.0787
Trypanosoma brucei	ATP synthase F1, alpha subunit	0.0064	0.0359	0.3557
Onchocerca volvulus		0.0043	0.0225	0.3248
Trypanosoma brucei	hypothetical protein	0.0138	0.084	0.8626
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0144	0.0906
Schistosoma mansoni	ATP synthase beta subunit	0.0035	0.0171	0.0642
Trypanosoma cruzi	ATP synthase F1 subunit gamma protein, putative	0.0051	0.0275	0.2832
Trypanosoma cruzi	ATPase subunit 9, putative	0.0158	0.097	1
Entamoeba histolytica	V-type ATPase, A subunit, putative	0.0021	0.0076	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.141
Chlamydia trachomatis	type III secretion system ATP synthase	0.0021	0.0076	0.4466
Toxoplasma gondii	ATP synthase F0 subunit 9, putative	0.0158	0.097	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.141
Mycobacterium ulcerans	F0F1 ATP synthase subunit beta	0.0035	0.0171	0.0172
Giardia lamblia	Vacuolar ATP synthase catalytic subunit A	0.0021	0.0076	1
Echinococcus granulosus	5'partial\|ATP synthase subunit delta mitochondrial	0.0064	0.036	0.1396
Plasmodium vivax	vacuolar ATP synthase subunit b, putative	0.0021	0.0076	0.0578
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0225	0.2316
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0238	0.091
Loa Loa (eye worm)	hypothetical protein	0.0255	0.1594	1
Mycobacterium ulcerans	F0F1 ATP synthase subunit gamma	0.0051	0.0275	0.0277
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0225	0.0225
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit beta	0.0035	0.0171	0.087
Brugia malayi	ATP synthase F1, delta subunit family protein	0.0012	0.0022	0.0072
Echinococcus multilocularis	V type proton ATPase 21 kDa proteolipid subunit	0.002	0.0073	0.0252
Onchocerca volvulus		0.0043	0.0225	0.3248
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0225	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0149	0.0911	0.5692
Brugia malayi	MH2 domain containing protein	0.012	0.072	0.4486
Chlamydia trachomatis	V-type ATP synthase subunit A	0.0021	0.0076	0.4466
Echinococcus multilocularis	tumor protein p63	0.0339	0.2144	0.852
Mycobacterium ulcerans	F0F1 ATP synthase subunit A	0.0181	0.1119	0.1128
Onchocerca volvulus	ATP synthase subunit gamma, mitochondrial homolog	0.0051	0.0275	0.4853
Trypanosoma brucei	ATP synthase F1, alpha subunit	0.0064	0.0359	0.3557
Schistosoma mansoni	ATP synthase delta chain	0.0012	0.0022	0.0046
Brugia malayi	beta-lactamase family protein	0.0043	0.0225	0.1355
Echinococcus granulosus	vacuolar ATP synthase subunit b	0.0021	0.0076	0.0264
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.0175	0.1042
Schistosoma mansoni	ATP synthase alpha subunit vacuolar	0.0021	0.0076	0.0264
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0238	0.091
Trypanosoma cruzi	ATPase subunit 9, putative	0.0158	0.097	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.014	0.125
Trypanosoma brucei	Mitochondrial ATP synthase subunit c-3	0.0158	0.097	1
Onchocerca volvulus		0.0052	0.028	0.5005
Trypanosoma cruzi	vacuolar type h+ ATPase subunit, putative	0.002	0.0073	0.0754
Leishmania major	vacuolar ATP synthase catalytic subunit A, putative	0.0021	0.0076	0.0578
Trichomonas vaginalis	esterase, putative	0.0043	0.0225	1
Trichomonas vaginalis	vacuolar ATP synthase proteolipid subunit, putative	0.002	0.0073	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.141
Echinococcus multilocularis	ATP synthase subunit alpha, mitochondrial	0.0076	0.0435	0.1698
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0014	0.0031	0.0085
Brugia malayi	beta-lactamase	0.0043	0.0225	0.1355
Mycobacterium tuberculosis	Probable ATP synthase epsilon chain AtpC	0.0064	0.036	0.036
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0238	0.1493
Treponema pallidum	V-type ATP synthase subunit B	0.0021	0.0076	0.4466
Trypanosoma cruzi	ATPase subunit 9, putative	0.0158	0.097	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0249	0.0955
Brugia malayi	hypothetical protein	0.0012	0.0022	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0911	0.5719
Trypanosoma cruzi	vacuolar type h+ ATPase subunit, putative	0.002	0.0073	0.0754
Plasmodium falciparum	V-type proton ATPase 16 kDa proteolipid subunit	0.002	0.0073	0.0544
Leishmania major	ATPase alpha subunit	0.0064	0.0359	0.3557
Trypanosoma cruzi	vacuolar type h+ ATPase subunit, putative	0.002	0.0073	0.0754
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0123	0.0715
Schistosoma mansoni	hypothetical protein	0.0397	0.2514	1
Echinococcus multilocularis	ATP synthase subunit beta, mitochondrial	0.0035	0.0171	0.0642
Trypanosoma cruzi	ATP synthase, epsilon chain, putative	0.0064	0.036	0.3706
Brugia malayi	vacuolar ATP synthase catalytic subunit A, osteoclast isoform	0.0021	0.0076	0.0418
Mycobacterium leprae	PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA	0.0076	0.0435	0.0439
Trypanosoma brucei	Mitochondrial ATP synthase subunit c-2	0.0158	0.097	1
Plasmodium falciparum	V-type proton ATPase catalytic subunit A	0.0021	0.0076	0.0578
Schistosoma mansoni	survival motor neuron protein	0.0052	0.028	0.1076
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0285	0.2776
Mycobacterium tuberculosis	Probable ATP synthase B chain AtpF	0.1539	0.9921	0.9921
Mycobacterium ulcerans	lipase LipD	0.0043	0.0225	0.0226
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0249	0.0955
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit delta	0.0012	0.0022	0.011
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.141
Plasmodium vivax	ATP synthase alpha chain, putative	0.0076	0.0435	0.4361
Toxoplasma gondii	ABC1 family protein	0.0043	0.0225	0.2141
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0225	0.2141
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0225	0.0225
Toxoplasma gondii	V-ATPase subunit c' proteolipid, putative	0.002	0.0073	0.0544
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0225	0.0225
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0225	0.141
Schistosoma mansoni	ATP synthase delta chain mitochondrial	0.0064	0.036	0.1396
Toxoplasma gondii	vacuolar ATP synthase subunit A, putative	0.0021	0.0076	0.0578
Plasmodium vivax	hypothetical protein, conserved	0.0064	0.036	0.3563
Mycobacterium tuberculosis	Probable ATP synthase alpha chain AtpA	0.0076	0.0435	0.0435
Brugia malayi	Vacuolar ATP synthase 16 kDa proteolipid subunit 1, putative	0.002	0.0073	0.0398
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.0249	0.0955
Onchocerca volvulus		0.005	0.0265	0.4538
Schistosoma mansoni	hypothetical protein	0.0047	0.0249	0.0955
Echinococcus granulosus	Vacuolar ATP synthase 16 kDa proteolipid	0.002	0.0073	0.0252
Trypanosoma cruzi	ATPase subunit 9, putative	0.0158	0.097	1
Loa Loa (eye worm)	vacuolar ATP synthase subunit B	0.0021	0.0076	0.0479
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.014	0.125
Schistosoma mansoni	ATP synthase gamma subunit	0.0051	0.0275	0.1057
Schistosoma mansoni	hypothetical protein	0.0047	0.0249	0.0955
Leishmania major	ATPase subunit 9, putative	0.0158	0.097	1
Echinococcus multilocularis	mitochondrial ATP synthase subunit 9	0.0158	0.097	0.3834
Loa Loa (eye worm)	vacuolar ATP synthase proteolipid subunit 1	0.002	0.0073	0.0459
Loa Loa (eye worm)	hypothetical protein	0.001	0.001	0.0064
Brugia malayi	ATP synthase delta chain, mitochondrial precursor, putative	0.0064	0.036	0.2207
Treponema pallidum	V-type ATP synthase subunit B	0.0021	0.0076	0.4466
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0225	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0225	0.141
Trichomonas vaginalis	vacuolar ATP synthase proteolipid subunit 1, 2, 3, putative	0.002	0.0073	0.2625
Plasmodium vivax	ATP synthase subunit gamma, mitochondrial, putative	0.0051	0.0275	0.2669
Mycobacterium ulcerans	F0F1 ATP synthase subunit epsilon	0.0064	0.036	0.0362
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.028	0.1701
Plasmodium vivax	V-type proton ATPase 16 kDa proteolipid subunit, putative	0.002	0.0073	0.0544
Schistosoma mansoni	vacuolar ATP synthase proteolipid subunit 1 2 3	0.002	0.0073	0.0252
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0225	0.0225
Echinococcus multilocularis	survival motor neuron protein 1	0.0255	0.1594	0.6323
Trypanosoma cruzi	V-type ATPase, C subunit, putative	0.002	0.0073	0.0754
Plasmodium falciparum	ATP synthase subunit beta, mitochondrial	0.0035	0.0171	0.1575
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0149	0.0911	0.5719
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0225	0.0226
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0238	0.1439
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.014	0.125
Toxoplasma gondii	ATP synthase, putative	0.0064	0.036	0.3563
Echinococcus multilocularis	dnaJ subfamily B	0.0397	0.2514	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.014	0.1445
Mycobacterium tuberculosis	Probable ATP synthase a chain AtpB (protein 6)	0.0181	0.1119	0.1119
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0225	1
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit B	0.0312	0.1966	1
Trypanosoma brucei	Mitochondrial ATP synthase subunit c-1	0.0158	0.097	1
Echinococcus multilocularis	ATP synthase subunit delta, mitochondrial	0.0064	0.036	0.1396
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0196	0.0744
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0225	1
Echinococcus multilocularis	vacuolar H+ ATPase v1 sector subunit A	0.0021	0.0076	0.0264
Mycobacterium leprae	PROBABLE ATP SYNTHASE B CHAIN ATPF	0.1539	0.9921	1
Chlamydia trachomatis	type III secretion system ATPase	0.0035	0.0171	1
Plasmodium falciparum	ATP synthase subunit gamma, mitochondrial	0.0051	0.0275	0.2669
Trypanosoma cruzi	V-type ATPase, A subunit, putative	0.0021	0.0076	0.0787
Echinococcus granulosus	H transporting ATP synthase O subunit	0.0012	0.0022	0.0046
Trichomonas vaginalis	vacuolar ATP synthase proteolipid subunit, putative	0.002	0.0073	0.2625
Trypanosoma cruzi	V-type ATPase, A subunit, putative	0.0021	0.0076	0.0787
Echinococcus granulosus	geminin	0.0205	0.1269	0.5029
Plasmodium vivax	V-type proton ATPase 21 kDa proteolipid subunit, putative	0.002	0.0073	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0249	0.1564
Brugia malayi	beta-lactamase family protein	0.0043	0.0225	0.1355
Mycobacterium leprae	PROBABLE ATP SYNTHASE GAMMA CHAIN ATPG	0.0051	0.0275	0.0277
Trypanosoma brucei	vacuolar ATP synthase 16 kDa proteolipid subunit, putative	0.002	0.0073	0.0544
Schistosoma mansoni	ATP synthase subunit beta vacuolar	0.0021	0.0076	0.0264
Trypanosoma brucei	vacuolar ATP synthase, putative	0.002	0.0073	0.0544
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0238	0.091
Plasmodium vivax	ATP synthase subunit beta, mitochondrial, putative	0.0035	0.0171	0.1575
Trypanosoma cruzi	Vacuolar proton pump subunit B, putative	0.0021	0.0076	0.0787
Brugia malayi	Vacuolar ATP synthase 21 kDa proteolipid subunit, putative	0.002	0.0073	0.0398
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0249	0.1564
Leishmania major	ATPase subunit 9, putative	0.0158	0.097	1
Echinococcus granulosus	ATP synthase gamma subunit	0.0051	0.0275	0.1057
Leishmania major	ATP synthase F1 subunit gamma protein, putative	0.0051	0.0275	0.2669
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0225	0.0225
Echinococcus multilocularis	geminin	0.0205	0.1269	0.5029
Loa Loa (eye worm)	vacuolar ATP synthase proteolipid subunit	0.002	0.0073	0.0459
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0249	0.151
Schistosoma mansoni	ATP synthase alpha subunit mitochondrial	0.0076	0.0435	0.1698
Plasmodium falciparum	ATP synthase F1, alpha subunit	0.0076	0.0435	0.4361
Trypanosoma cruzi	vacuolar ATP synthase, putative	0.002	0.0073	0.0754
Treponema pallidum	V-type ATP synthase subunit A	0.0021	0.0076	0.4466
Schistosoma mansoni	ATP synthase gamma subunit	0.0051	0.0275	0.1057
Leishmania major	vacuolar type h ATPase subunit, putative	0.002	0.0073	0.0544
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0225	0.0857
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit gamma	0.0051	0.0275	0.1398
Onchocerca volvulus		0.0043	0.0225	0.3248
Leishmania major	ATPase subunit 9, putative	0.0158	0.097	1
Entamoeba histolytica	V-type ATPase, B subunit, putative	0.0021	0.0076	1
Leishmania major	hypothetical protein, conserved	0.003	0.014	0.125
Trypanosoma brucei	V-type ATPase, C subunit, putative	0.002	0.0073	0.0544
Brugia malayi	ATP synthase lipid-binding protein, mitochondrial precursor	0.0158	0.097	0.6064
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0225	0.0225
Trichomonas vaginalis	ATP synthase alpha subunit mitochondrial, putative	0.0021	0.0076	0.2782
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0225	0.0225
Schistosoma mansoni	hypothetical protein	0.0014	0.0031	0.0085
Echinococcus granulosus	ATP synthase subunit alpha mitochondrial	0.0076	0.0435	0.1698
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit C	0.0158	0.097	0.4935
Echinococcus granulosus	Vacuolar ATP synthase 16 kDa proteolipid	0.002	0.0073	0.0252
Leishmania major	V-type ATPase, C subunit, putative	0.002	0.0073	0.0544
Toxoplasma gondii	ATP synthase F1 gamma subunit	0.0051	0.0275	0.2669
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0265	0.1018
Echinococcus multilocularis	Vacuolar ATP synthase 16 kDa proteolipid	0.002	0.0073	0.0252
Mycobacterium leprae	PROBABLE ATP SYNTHASE A CHAIN ATPB (PROTEIN 6)	0.0181	0.1119	0.1128
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0249	0.151
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.0175	0.0659
Brugia malayi	hypothetical protein	0.0255	0.1594	1
Echinococcus multilocularis	H+ transporting ATP synthase O subunit	0.0012	0.0022	0.0046
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.014	0.125
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0225	0.0226
Trichomonas vaginalis	ATP synthase beta subunit, putative	0.0021	0.0076	0.2782
Chlamydia trachomatis	V-type ATP synthase subunit B	0.0021	0.0076	0.4466
Entamoeba histolytica	V-type ATPase, C subunit, putative	0.002	0.0073	0.9438
Trypanosoma brucei	ATP synthase subunit beta, mitochondrial	0.0035	0.0171	0.1575
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit A	0.0181	0.1119	0.569
Echinococcus granulosus	cpg binding protein	0.0029	0.0134	0.0493
Schistosoma mansoni	hypothetical protein	0.0205	0.1269	0.5029
Echinococcus granulosus	vacuolar H ATPase v1 sector subunit A	0.0021	0.0076	0.0264
Leishmania major	ATPase alpha subunit	0.0064	0.0359	0.3557
Leishmania major	vacuolar ATP synthase, putative	0.002	0.0073	0.0544
Leishmania major	ATPase beta subunit, putative	0.0035	0.0171	0.1575
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0238	0.091
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0225	0.0857
Onchocerca volvulus	ATP synthase subunit alpha, mitochondrial homolog	0.0076	0.0435	1
Schistosoma mansoni	ATP synthase lipid-binding protein-like protein	0.0158	0.097	0.3834
Brugia malayi	latrophilin 2 splice variant baaae	0.0102	0.0605	0.3757
Loa Loa (eye worm)	hypothetical protein	0.003	0.014	0.088
Mycobacterium ulcerans	F0F1 ATP synthase subunit B	0.1539	0.9921	1
Leishmania major	ATP synthase, epsilon chain, putative	0.0064	0.036	0.3563
Toxoplasma gondii	ATP synthase beta subunit ATP-B	0.0035	0.0171	0.1575
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0225	0.0225
Schistosoma mansoni	hypothetical protein	0.0102	0.0605	0.2375
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.072	0.4521
Echinococcus multilocularis	Vacuolar ATP synthase 16 kDa proteolipid	0.002	0.0073	0.0252
Mycobacterium leprae	PROBABLE ATP SYNTHASE EPSILON CHAIN ATPC	0.0064	0.036	0.0362
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.0249	0.0955
Trypanosoma brucei	Vacuolar proton pump subunit B, putative	0.0021	0.0076	0.0578
Mycobacterium tuberculosis	Probable ATP synthase gamma chain AtpG	0.0051	0.0275	0.0275
Loa Loa (eye worm)	ATP synthase subunit delta	0.0064	0.036	0.2257
Brugia malayi	Vacuolar ATP synthase 16 kDa proteolipid subunit, putative	0.002	0.0073	0.0398
Schistosoma mansoni	ATP synthase gamma subunit	0.0051	0.0275	0.1057
Brugia malayi	ATP synthase beta chain, mitochondrial precursor, putative	0.0035	0.0171	0.1016
Loa Loa (eye worm)	hypothetical protein	0.005	0.0265	0.1663
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.014	0.125
Echinococcus multilocularis	ATP synthase gamma subunit	0.0051	0.0275	0.1057
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0014	0.0031	0.0085
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0238	0.091
Trypanosoma cruzi	vacuolar ATP synthase, putative	0.002	0.0073	0.0754
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0225	0.0225
Trypanosoma brucei	vacuolar type h+ ATPase subunit, putative	0.002	0.0073	0.0544
Brugia malayi	hypothetical protein	0.002	0.007	0.038
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0225	0.2316
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0238	0.091
Loa Loa (eye worm)	ATP synthase F1	0.0012	0.0022	0.0135
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0225	0.0226
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0225	0.0857
Echinococcus granulosus	tumor protein p63	0.0339	0.2144	0.852
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0326	0.1261
Treponema pallidum	V-type ATP synthase subunit K	0.002	0.0073	0.4278
Echinococcus granulosus	ATP synthase subunit beta mitochondrial	0.0035	0.0171	0.0642
Leishmania major	vacuolar ATP synthase subunit b, putative	0.0021	0.0076	0.0578
Toxoplasma gondii	vacuolar ATP synthase subunit b, putative	0.0021	0.0076	0.0578
Mycobacterium ulcerans	F0F1 ATP synthase subunit C	0.0158	0.097	0.0978
Mycobacterium ulcerans	F0F1 ATP synthase subunit delta	0.0324	0.2045	0.2061
Mycobacterium ulcerans	F0F1 ATP synthase subunit alpha	0.0076	0.0435	0.0439
Schistosoma mansoni	ATP synthase lipid-binding protein-like protein	0.0158	0.097	0.3834
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.014	0.1445
Plasmodium falciparum	ATP synthase subunit delta, mitochondrial, putative	0.0064	0.036	0.3563
Schistosoma mansoni	hypothetical protein	0.0052	0.028	0.1076
Schistosoma mansoni	cpg binding protein	0.0029	0.0134	0.0493
Loa Loa (eye worm)	vacuolar H ATPase family member	0.0021	0.0076	0.0479
Schistosoma mansoni	ATP synthase F0 subunit 6	0.0109	0.0652	0.2564
Schistosoma mansoni	ATP synthase gamma subunit	0.0051	0.0275	0.1057
Brugia malayi	ATP synthase alpha chain, mitochondrial precursor, putative	0.0076	0.0435	0.2685
Echinococcus granulosus	V type proton ATPase 21 kDa proteolipid subunit	0.002	0.0073	0.0252
Trypanosoma brucei	V-type ATPase, A subunit, putative	0.0021	0.0076	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.141
Trypanosoma cruzi	ATPase subunit 9, putative	0.0158	0.097	1
Leishmania major	hypothetical protein, conserved	0.0043	0.0225	0.2141
Trypanosoma cruzi	vacuolar type h+ ATPase subunit, putative	0.002	0.0073	0.0754
Echinococcus granulosus	survival motor neuron protein 1	0.0255	0.1594	0.6323
Schistosoma mansoni	vacuolar ATP synthase proteolipid subunit	0.002	0.0073	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0605	0.3796
Trichomonas vaginalis	ATP synthase, putative	0.0021	0.0076	0.2782
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0238	0.091
Schistosoma mansoni	hypothetical protein	0.0047	0.0249	0.0955
Treponema pallidum	flagellum-specific ATP synthase (fliI)	0.0035	0.0171	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.0175	0.1099
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1744	0.1744
Echinococcus granulosus	mitochondrial ATP synthase subunit 9	0.0158	0.097	0.3834
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0225	1
Schistosoma mansoni	hypothetical protein	0.0205	0.1269	0.5029
Echinococcus granulosus	dnaJ subfamily B	0.0397	0.2514	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0033	0.016	0.6843
Leishmania major	vacuolar type h ATPase subunit, putative	0.002	0.0073	0.0544
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0225	0.0226
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0225	0.0857
Plasmodium falciparum	ATP synthase subunit C, putative	0.0158	0.097	1
Brugia malayi	vacuolar ATP synthase subunit B	0.0021	0.0076	0.0418
Treponema pallidum	V-type ATP synthase subunit A	0.0021	0.0076	0.4466
Giardia lamblia	Vacuolar ATP synthase subunit B	0.0021	0.0076	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.141
Leishmania major	vacuolar ATP synthase, putative	0.002	0.0073	0.0544
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0225	0.1355
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.072	0.4521
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0033	0.016	0.6843
Echinococcus multilocularis	vacuolar ATP synthase subunit b	0.0021	0.0076	0.0264
Onchocerca volvulus	ATP synthase subunit delta, mitochondrial homolog	0.0064	0.036	0.7573
Mycobacterium leprae	PROBABLE ATP SYNTHASE C CHAIN ATPE (LIPID-BINDING PROTEIN) (DICYCLOHEXYLCARBODIIMIDE-BINDING PROTEIN)	0.0158	0.097	0.0978
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.0175	0.0659
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0022	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0275	0.1724
Loa Loa (eye worm)	ATP synthase subunit beta	0.0023	0.0095	0.0594
Chlamydia trachomatis	V-type ATP synthase subunit K	0.002	0.0073	0.4278
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0249	0.0955
Plasmodium vivax	ATP synthase lipid-binding protein, mitochondrial precursor, putative	0.0158	0.097	1
Echinococcus multilocularis	cpg binding protein	0.0029	0.0134	0.0493
Trypanosoma brucei	ATP synthase F1 subunit gamma protein, putative	0.0051	0.0275	0.2669
Schistosoma mansoni	cpg binding protein	0.0029	0.0134	0.0493
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0149	0.0911	0.5692
Brugia malayi	ATP synthase gamma chain, mitochondrial precursor, putative	0.0051	0.0275	0.1671
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0135
Schistosoma mansoni	vacuolar ATP synthase proteolipid subunit 1 2 3	0.002	0.0073	0.0252
Plasmodium falciparum	V-type proton ATPase subunit B	0.0021	0.0076	0.0578
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0225	0.2141
Mycobacterium tuberculosis	Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein)	0.0158	0.097	0.097
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0225	0.0226
Trichomonas vaginalis	vacuolar ATP synthase proteolipid subunit 1, 2, 3, putative	0.002	0.0073	0.2625
Brugia malayi	hypothetical protein	0.003	0.014	0.0821
Plasmodium vivax	vacuolar ATP synthase catalytic subunit A, putative	0.0021	0.0076	0.0578
Echinococcus granulosus	GPCR family 2	0.0047	0.0249	0.0955
Schistosoma mansoni	hypothetical protein	0.0047	0.0249	0.0955
Mycobacterium leprae	PROBABLE ATP SYNTHASE BETA CHAIN ATPD	0.0081	0.0469	0.0472
Leishmania major	ATPase beta subunit, putative	0.0035	0.0171	0.1575
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0123	0.0774
Trichomonas vaginalis	vacuolar ATP synthase proteolipid subunit, putative	0.002	0.0073	0.2625
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0225	0.0226
Trypanosoma cruzi	ATP synthase F1 subunit gamma protein, putative	0.0051	0.0275	0.2832
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0196	0.0744
Loa Loa (eye worm)	vacuolar ATP synthase proteolipid subunit	0.002	0.0073	0.0459
Trypanosoma brucei	mitochondrial ATP synthase delta chain	0.0064	0.036	0.3563
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit alpha	0.0076	0.0435	0.2214
Entamoeba histolytica	Vacuolar ATP synthase proteolipid subunit, putative	0.002	0.0073	0.9438
Plasmodium falciparum	V-type proton ATPase 21 kDa proteolipid subunit, putative	0.002	0.0073	0.0544
Schistosoma mansoni	cpg binding protein	0.0028	0.0123	0.0452
Schistosoma mansoni	ATP synthase gamma subunit	0.0051	0.0275	0.1057

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2512 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3078 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

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: CHEMBL1375880

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1268394