TDR Targets

Basic information

Technical information

TDR Targets ID: 1232245
Name: 4-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3- yl]-N-(oxolan-2-ylmethyl)butanamide
MW: 386.468 | Formula: C19H22N4O3S
H donors: 1 H acceptors: 3 LogP: 1.62 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: N#CCSc1nc2ccccc2c(=O)n1CCCC(=O)NCC1CCCO1
InChi: 1S/C19H22N4O3S/c20-9-12-27-19-22-16-7-2-1-6-15(16)18(25)23(19)10-3-8-17(24)21-13-14-5-4-11-26-14/h1-2,6-7,14H,3-5,8,10-13H2,(H,21,24)
InChiKey: GRHGRJOLKWAZIC-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

4-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]-N-(tetrahydrofuran-2-ylmethyl)butanamide
4-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]-N-(2-tetrahydrofuranylmethyl)butanamide
4-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]-N-(tetrahydrofurfuryl)butyramide
4-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]-N-(oxolan-2-ylmethyl)butanamide
4-[2-[(cyanomethyl)thio]-4-oxoquinazolin-3(4H)-yl]-N-(tetrahydrofuran-2-ylmethyl)butanamide
MLS000621783
SMR000310710
Oprea1_694481

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	facilitative glucose transporter GT1	0.011	0.216	0.3201
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0771	0.3309
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0025	0.0283	0.2467
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0125	0.0042
Trypanosoma brucei	glucose transporter 1E	0.0034	0.0493	0.5064
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0324	0.2269
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0493	0.5064
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0125	0.0042
Echinococcus granulosus	General substrate transporter	0.0095	0.1821	0.8364
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0034	0.0484	0.0788
Chlamydia trachomatis	lysine--tRNA ligase	0.0025	0.0283	0.1986
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1427	0.2521
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0034	0.0484	0.0404
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0034	0.0484	0.0404
Echinococcus multilocularis	General substrate transporter	0.0095	0.1821	0.8364
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0847	0.3675
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0034	0.0493	0.5064
Trichomonas vaginalis	sugar transporter, putative	0.0034	0.0493	0.0735
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0039	0.0589	0.6246
Leishmania major	glucose transporter, lmgt2	0.0034	0.0493	0.5064
Trichomonas vaginalis	sugar transporter, putative	0.0034	0.0493	0.0735
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0847	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.1427	0.207
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0034	0.0484	0.0404
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1427	0.1354
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0034	0.0484	0.0617
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0493	0.0735
Trichomonas vaginalis	sugar transporter, putative	0.0034	0.0493	0.0735
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.011	0.216	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.1427	0.6466
Loa Loa (eye worm)	glutaminase	0.027	0.5658	1
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0033	0.0469	0.1855
Plasmodium vivax	lysine--tRNA ligase, putative	0.0025	0.0283	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0589	0.6246
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0104	0.027
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0034	0.0484	0.0404
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0034	0.0484	0.0404
Trypanosoma cruzi	hexose transporter, putative	0.0034	0.0493	0.5064
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0283	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Plasmodium vivax	proline--tRNA ligase, putative	0.0039	0.0589	0.051
Echinococcus multilocularis	lysyl tRNA synthetase	0.0025	0.0283	0.0961
Brugia malayi	glutaminase DH11.1	0.027	0.5658	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.011	0.216	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.011	0.216	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0324	0.0242
Brugia malayi	hypothetical protein	0.0052	0.0893	0.1451
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0125	0.0877
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.1427	0.207
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0893	0.1516
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0493	0.5064
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0034	0.0484	0.1927
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0847	1
Echinococcus multilocularis	calcium dependent protein kinase	0.0032	0.0438	0.1707
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0034	0.0484	0.0617
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0025	0.0283	0.2467
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.011	0.216	1
Loa Loa (eye worm)	sugar transporter	0.0015	0.0084	0.0075
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0254	0.0449
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0771	0.1233
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0034	0.0484	0.0617
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0589	0.6246
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.1427	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0125	0.0542
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0033	0.0469	0.0691
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0589	0.6246
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0254	0.0449
Trypanosoma cruzi	hexose transporter, putative	0.0034	0.0493	0.5064
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0033	0.0469	0.0691
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0084	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Echinococcus granulosus	calcium dependent protein kinase	0.0032	0.0438	0.1707
Plasmodium vivax	hexose transporter	0.011	0.216	0.2094
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0039	0.0589	0.6246
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0771	0.3309
Plasmodium falciparum	protein kinase 7	0.0311	0.6571	0.6542
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0254	0.2232
Trichomonas vaginalis	glucose transporter, putative	0.0034	0.0493	0.0735
Schistosoma mansoni	glucose transport protein	0.011	0.216	0.3726
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0254	0.2106
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0771	0.3309
Trichomonas vaginalis	glutaminase, putative	0.027	0.5658	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1427	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0893	0.0816
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0254	0.0449
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.1427	0.6466
Toxoplasma gondii	protein kinase, putative	0.0311	0.6571	1
Schistosoma mansoni	glutaminase	0.027	0.5658	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.011	0.216	1
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0033	0.0469	0.9348
Toxoplasma gondii	hypothetical protein	0.0026	0.0324	0.037
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1427	0.2466
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0254	0.0378
Mycobacterium ulcerans	glutaminase	0.027	0.5658	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.011	0.216	1
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0178	0.3649	0.5495
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1427	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0771	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0254	0.0378
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0033	0.0469	0.0691
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0254	0.0449
Leishmania major	glucose transporter, lmgt3	0.0034	0.0493	0.5064
Onchocerca volvulus		0.0023	0.0254	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0034	0.0493	0.5064
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.1427	0.1354
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0034	0.0484	0.0404
Brugia malayi	Sugar transporter family protein	0.011	0.216	0.3726
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0254	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0469	0.0761
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.011	0.216	1
Trypanosoma cruzi	hexose transporter, putative	0.0034	0.0493	0.5064
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0149
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0771	0.3309
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0039	0.0589	0.0779
Brugia malayi	hypothetical protein	0.0034	0.0486	0.0721
Schistosoma mansoni	glucose transport protein	0.011	0.216	0.3726
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0493	0.5064
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0493	0.5064
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0324	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Leishmania major	lysyl-tRNA synthetase, putative	0.0025	0.0283	0.2467
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0254	0.0306
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0034	0.0484	0.0404
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0104	0.027
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0259	0.0845
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0771	0.1299
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0469	0.0761
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0033	0.0469	0.1855
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0084	0.0148
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0493	0.5064
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0259	0.0845
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0254	0.0425
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0254	0.0306
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0254	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0149
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.0847	0.5266
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0033	0.0469	0.0691
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0893	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1427	0.2521
Plasmodium falciparum	lysine--tRNA ligase	0.0025	0.0283	0.0201
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0033	0.0469	0.2179
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0771	0.1233
Schistosoma mansoni	protein kinase	0.0034	0.0484	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0254	0.0425
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0034	0.0484	0.0718
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0025	0.0283	0.0358
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1427	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0254	0.0306
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0034	0.0493	0.5064
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0034	0.0484	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0149
Loa Loa (eye worm)	sugar transporter	0.011	0.216	0.3773
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0084	0.0075
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0104	0.027
Entamoeba histolytica	protein kinase, putative	0.0034	0.0484	1
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0493	0.5064
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0283	0.0431
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0254	0.0449
Schistosoma mansoni	protein kinase	0.0034	0.0484	0.0718
Plasmodium falciparum	hexose transporter	0.011	0.216	0.2094
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0034	0.0484	0.4947
Schistosoma mansoni	serine/threonine protein kinase	0.0034	0.0484	0.0718
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0025	0.0283	0.0664
Trichomonas vaginalis	CAMK family protein kinase	0.0034	0.0484	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0149
Trypanosoma brucei	glucose transporter 2A	0.0034	0.0493	0.5064
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Schistosoma mansoni	protein kinase	0.0034	0.0484	0.0718
Toxoplasma gondii	lysine-tRNA ligase	0.0025	0.0283	0.0308
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0034	0.0484	0.0788
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0493	0.5064
Trypanosoma cruzi	hexose transporter	0.0034	0.0493	0.5064
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.011	0.216	1
Leishmania major	hypothetical protein, conserved	0.0052	0.0893	1
Trichomonas vaginalis	glucose transporter, putative	0.0034	0.0493	0.0735
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.1427	0.2409
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0493	0.0735
Plasmodium falciparum	proline--tRNA ligase	0.0039	0.0589	0.051
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.0893	0.1247
Brugia malayi	Cam kinase protein 1	0.0034	0.0484	0.0718
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0893	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0283	0.0501
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0254	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0021	0.0202	0.155
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Entamoeba histolytica	protein kinase, putative	0.0034	0.0484	1
Trichomonas vaginalis	conserved hypothetical protein	0.011	0.216	0.3726
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0034	0.0484	0.0404
Giardia lamblia	Prolyl-tRNA synthetase	0.0033	0.0469	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0283	0.0358
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0283	0.0358
Brugia malayi	lysyl-tRNA synthetase	0.0025	0.0283	0.0358
Giardia lamblia	Lysyl-tRNA synthetase	0.0025	0.0283	0.5182
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0254	0.2106
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0026	0.0324	0.0993
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0333	0.0519
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0125	0.0149
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0893	0.0816
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0033	0.0469	0.0691
Echinococcus granulosus	lysyl tRNA synthetase	0.0025	0.0283	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0893	0.0816
Loa Loa (eye worm)	glutaminase 2	0.027	0.5658	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Trypanosoma cruzi	hexose transporter, putative	0.0019	0.0154	0.0864
Mycobacterium ulcerans	sugar transporter	0.0015	0.0084	0.0148
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0021	0.0202	0.155
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0084	0.0148
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0104	0.027
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1427	1
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0178	0.3649	0.3595
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0034	0.0493	0.5064
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0484	0.0788
Leishmania major	protein kinase, putative	0.0034	0.0484	0.4947
Trypanosoma brucei	glucose transporter, putative	0.0034	0.0493	0.5064
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0468	1	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0034	0.0484	0.1927
Entamoeba histolytica	hypothetical protein	0.0025	0.0283	0.1273
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0125	0.0221
Schistosoma mansoni	hypothetical protein	0.011	0.216	0.3726
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0022	0.0217	0.0239
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0084	0.0148
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0771	0.1233
Schistosoma mansoni	hypothetical protein	0.0023	0.0259	0.0315
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0178	0.3649	0.3595
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0847	0.3675
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0254	0.0449
Schistosoma mansoni	glucose transport protein	0.011	0.216	0.3726
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.0893	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0254	0.2106
Brugia malayi	Probable ClpP-like protease	0.0077	0.1427	0.2409
Leishmania major	glucose transporter, lmgt1	0.0034	0.0493	0.5064
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0254	0.2232
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0075

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.8526 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)	3.5481 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 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)	31.6228 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

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: CHEMBL1350510

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1232245