TDR Targets

Basic information

Technical information

TDR Targets ID: 1308903
Name: N-[2,2,2-trichloro-1-(methyl-(phenylmethyl)am ino)ethyl]furan-2-carboxamide
MW: 361.651 | Formula: C15H15Cl3N2O2
H donors: 1 H acceptors: 1 LogP: 4.14 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(C(Cl)(Cl)Cl)NC(=O)c1ccco1)Cc1ccccc1
InChi: 1S/C15H15Cl3N2O2/c1-20(10-11-6-3-2-4-7-11)14(15(16,17)18)19-13(21)12-8-5-9-22-12/h2-9,14H,10H2,1H3,(H,19,21)
InChiKey: IAILDZUHGRJLHV-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

N-[2,2,2-trichloro-1-(methyl-(phenylmethyl)amino)ethyl]-2-furancarboxamide
N-[1-(benzyl-methyl-amino)-2,2,2-trichloro-ethyl]-2-furamide
BAS 00663744
ST5034548
MLS000764540
SMR000290145
Furan-2-carboxylic acid [1-(benzyl-methyl-amino)-2,2,2-trichloro-ethyl]-amide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0223	0.068
Brugia malayi	glutathione reductase	0.0038	0.0337	0.1179
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0854	0.0854
Schistosoma mansoni	hypothetical protein	0.004	0.0362	0.0362
Schistosoma mansoni	hypothetical protein	0.0018	0.0047	0.0047
Mycobacterium tuberculosis	Probable reductase	0.0087	0.1055	0.2038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0175	0.0531
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0219	0.0219
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0307	0.3591
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0854	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0416	0.1265
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0416	0.1454
Brugia malayi	RNA binding protein	0.0197	0.2677	0.936
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0416	0.1454
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0045	0.0442	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0416	0.0416
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0394	0.0394
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0416	0.1265
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0442	0.1547
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0307	0.6934
Loa Loa (eye worm)	glutathione reductase	0.0038	0.0337	0.1179
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.0442	0.0442
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0416	0.0223
Onchocerca volvulus		0.0043	0.0416	0.0642
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0416	0.9395
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0416	0.9395
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0854	1
Plasmodium vivax	glutathione reductase, putative	0.0038	0.0337	0.6005
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0442	0.1547
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0416	0.1454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0413
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0272	0.0827
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.0442	0.5179
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0272	0.0827
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0416	0.0416
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0087	0.1055	0.2038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0306	0.0932
Onchocerca volvulus		0.0043	0.0416	0.0642
Loa Loa (eye worm)	RNA binding protein	0.0197	0.2677	0.936
Brugia malayi	Pre-SET motif family protein	0.003	0.0219	0.0766
Schistosoma mansoni	hypothetical protein	0.0205	0.2784	0.2784
Loa Loa (eye worm)	hypothetical protein	0.003	0.0219	0.0766
Plasmodium falciparum	glutathione reductase	0.0038	0.0337	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0047	0.0047
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0854	0.1469
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0219	0.0219
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0416	0.0223
Schistosoma mansoni	hypothetical protein	0.0018	0.0047	0.0047
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0047	0.0047
Echinococcus granulosus	GPCR family 2	0.0018	0.0047	0.0047
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0416	0.0223
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0097	0.1198	0.2443
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0416	0.0223
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.286	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0034	0.0272	0.0833
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0416	0.1265
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0272	0.0827
Toxoplasma gondii	thioredoxin reductase	0.0038	0.0337	0.186
Onchocerca volvulus		0.0043	0.0416	0.0642
Mycobacterium tuberculosis	Probable dehydrogenase	0.0087	0.1055	0.2038
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.0053	0.1204
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0047	0.0166
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0224	0.0261
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0047	0.0166
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0415
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0219	0.0219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0171	0.0519
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0416	0.0223
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0362	0.1264
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.0337	0.6005
Schistosoma mansoni	hypothetical protein	0.0018	0.0047	0.0047
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0632	0.2211
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0416	0.1454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0306	0.0932
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0087	0.1055	0.2038
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0416	0.9395
Schistosoma mansoni	hypothetical protein	0.0042	0.0394	0.0394
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0345	0.105
Brugia malayi	hypothetical protein	0.003	0.0224	0.0784
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0394	0.0394
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0416	1
Brugia malayi	TAR-binding protein	0.0197	0.2677	0.936
Echinococcus multilocularis	microtubule associated protein 2	0.0696	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0416	0.1265
Mycobacterium tuberculosis	Probable oxidoreductase	0.0097	0.1198	0.2443
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0854	0.0854
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0045	0.0442	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0306	0.0932
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0442	0.1347
Brugia malayi	beta-lactamase	0.0043	0.0416	0.1454
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0087	0.1055	0.8176
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0175	0.0531
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0394	0.0394
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0047	0.0166
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0415
Loa Loa (eye worm)	TAR-binding protein	0.0197	0.2677	0.936
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0272	0.0827
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.0442	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0307	0.6934
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0092	0.207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0209	0.0636
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0442	0.1347
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0416	0.0223
Brugia malayi	Pre-SET motif family protein	0.021	0.286	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.0442	0.0442
Leishmania major	hypothetical protein, conserved	0.0043	0.0416	0.4866
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.0337	0.1179
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0272	0.0827
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0047	0.0047
Schistosoma mansoni	microtubule-associated protein tau	0.0696	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0415
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0272	0.0827
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0197	0.2677	0.936
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0224	0.5064
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0854	0.0854
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0416	0.1265
Echinococcus multilocularis	geminin	0.0205	0.2784	0.2784
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0219	0.0219
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0416	0.0223
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0219	0.0219
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0224	0.5064
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.2677	0.2677
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0306	0.0932
Brugia malayi	beta-lactamase family protein	0.0043	0.0416	0.1454
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.2677	0.2677
Brugia malayi	RNA recognition motif domain containing protein	0.0197	0.2677	0.936
Brugia malayi	beta-lactamase family protein	0.0043	0.0416	0.1454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0272	0.0827
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0416	0.0223
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0047	0.0047
Brugia malayi	hypothetical protein	0.0042	0.0394	0.1378
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0416	0.1454
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.0442	0.5179
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0854	1
Toxoplasma gondii	ABC1 family protein	0.0043	0.0416	0.3097
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0632	0.2211
Echinococcus granulosus	tar DNA binding protein	0.0197	0.2677	0.2677
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0039	0.0345	0.0345
Echinococcus granulosus	thioredoxin glutathione reductase	0.0039	0.0345	0.0345
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0175	0.0531
Trichomonas vaginalis	esterase, putative	0.0043	0.0416	0.1265
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.2677	0.2677
Echinococcus granulosus	geminin	0.0205	0.2784	0.2784
Trypanosoma brucei	trypanothione reductase	0.0038	0.0337	0.7619
Echinococcus multilocularis	tar DNA binding protein	0.0197	0.2677	0.2677
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.3859	1
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0224	0.0081
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0097	0.1198	1
Plasmodium falciparum	thioredoxin reductase	0.0038	0.0337	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0632	0.2211
Brugia malayi	Thioredoxin reductase	0.0038	0.0337	0.1179
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0442	0.1347
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0219	0.0219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0306	0.0932
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.0442	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0416	0.1454
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0416	0.0223
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0854	0.0854
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.0442	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0047	0.0047
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.2677	0.2677
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0047	0.0166
Brugia malayi	hypothetical protein	0.002	0.0066	0.0229
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0413
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0203	0.0203
Schistosoma mansoni	hypothetical protein	0.0205	0.2784	0.2784
Giardia lamblia	GTOR	0.0045	0.0442	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0416	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0416	0.1454
Leishmania major	trypanothione reductase	0.0038	0.0337	0.3946
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0413
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0087	0.1055	0.2038
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0224	0.5064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0136	0.0415
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0416	0.0416
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0097	0.1198	0.2443
Onchocerca volvulus		0.0239	0.3286	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0854	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0854	1
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.2677	0.2677
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0416	0.1454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0171	0.0519
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.004	0.0362	0.1264
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0416	0.0223
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0632	0.2211
Trypanosoma cruzi	trypanothione reductase, putative	0.0038	0.0337	0.7619
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0219	0.0219
Leishmania major	hypothetical protein, conserved	0.003	0.0224	0.2623
Loa Loa (eye worm)	hypothetical protein	0.003	0.0224	0.0784
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0087	0.1055	0.2038
Trichomonas vaginalis	set domain proteins, putative	0.0239	0.3286	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0442	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0033 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	0.0267 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 2.5119 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)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.5131 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1428036

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1308903