TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 461.962 | Formula: C22H24ClN3O4S
H donors: 2 H acceptors: 4 LogP: 4.07 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)S(=O)(=O)N(C(=O)N2)Cc1ccc(cc1)C(=O)NC1CCCCCC1
InChi: 1S/C22H24ClN3O4S/c23-17-11-12-19-20(13-17)31(29,30)26(22(28)25-19)14-15-7-9-16(10-8-15)21(27)24-18-5-3-1-2-4-6-18/h7-13,18H,1-6,14H2,(H,24,27)(H,25,28)
InChiKey: JYHNZYOSVPHTBQ-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
Mus musculus	hydroxysteroid 11-beta dehydrogenase 1	Starlite/ChEMBL	References
Homo sapiens	hydroxysteroid (11-beta) dehydrogenase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	short chain dehydrogenase	Get druggable targets OG5_132866	All targets in OG5_132866
Mycobacterium tuberculosis	Probable oxidoreductase	Get druggable targets OG5_132866	All targets in OG5_132866

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxysteroid 11-beta dehydrogenase 1	292 aa	246 aa	25.2 %
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxysteroid (11-beta) dehydrogenase 1	292 aa	250 aa	24.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	CMGC family protein kinase	0.0087	0.0434	1
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0115	0.0606	0.0525
Leishmania major	carboxylase, putative	0.062	0.3743	0.372
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0057	0.0247	0.0163
Trichomonas vaginalis	cyclins, putative	0.0031	0.0085	0.1482
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.062	0.3743	0.9103
Entamoeba histolytica	cell division protein kinase 2, putative	0.0087	0.0434	0.2519
Trypanosoma cruzi	dihydrolipoamide acetyltransferase precursor, putative	0.0057	0.0247	0.0267
Mycobacterium leprae	Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase)	0.0221	0.1263	0.3309
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.014	0.0763	0.0684
Echinococcus granulosus	Biotin lipoyl attachment	0.0057	0.0247	0.0163
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0031	0.0085	0.0051
Echinococcus granulosus	dihydrolipoyllysine residue succinyltransferase	0.0057	0.0247	0.0163
Trichomonas vaginalis	CMGC family protein kinase	0.0087	0.0434	1
Mycobacterium leprae	ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6	0.0221	0.1263	0.3309
Echinococcus granulosus	dihydrolipoyllysine residue acetyltransferase	0.0057	0.0247	0.0163
Echinococcus multilocularis	Biotin lipoyl attachment	0.0057	0.0247	0.0163
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0221	0.1263	0.3071
Schistosoma mansoni	acetyl-CoA carboxylase	0.1629	1	1
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.062	0.3743	0.3689
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.1571	0.9646	1
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0221	0.1263	0.3071
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0031	0.0085	0.0049
Trypanosoma cruzi	glutamine-dependent carbamoyl-phosphate synthetase, putative	0.014	0.0763	0.1118
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.1178	0.7207	1
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.1319	0.1245
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0221	0.1263	0.3071
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.014	0.0763	0.1059
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0036	0.0088
Mycobacterium tuberculosis	Probable oxidoreductase	0.068	0.4112	1
Mycobacterium ulcerans	hypothetical protein	0.0057	0.0247	0.0601
Trypanosoma brucei	dihydrolipoamide branched chain transacylase, putative	0.0057	0.0247	0.0163
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.062	0.3743	0.372
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0115	0.0606	0.0525
Trypanosoma brucei	dihydrolipoamide acetyltransferase E2 subunit, putative	0.0057	0.0247	0.0163
Trypanosoma cruzi	cdc2-related kinase 1	0.0087	0.0434	0.0576
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0221	0.1263	0.1188
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0429	0.0444
Brugia malayi	Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor	0.0057	0.0247	0.022
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0221	0.1263	0.3071
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.062	0.3743	0.3689
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.062	0.3743	0.3689
Brugia malayi	dihydrolipoamide S-acetyltransferase precursor, putative	0.0057	0.0247	0.022
Mycobacterium leprae	Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB	0.0057	0.0247	0.0569
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0036	0.0088
Onchocerca volvulus		0.0031	0.0085	0.4108
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0005	0.0005
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0221	0.1263	0.1231
Giardia lamblia	Kinase, CMGC CDK	0.0087	0.0434	0.2279
Brugia malayi	Carboxyl transferase domain containing protein	0.1571	0.9646	1
Plasmodium falciparum	dihydrolipoamide acyltransferase component E2	0.0057	0.0247	0.0343
Mycobacterium leprae	Probable biotinylated protein homolog TB7.3	0.0057	0.0247	0.0569
Chlamydia trachomatis	dihydrolipoamide succinyltransferase	0.0057	0.0247	0.0729
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.062	0.3743	0.3689
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.1178	0.7207	1
Mycobacterium leprae	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE)	0.0221	0.1263	0.3309
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.1629	1	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0087	0.0434	0.0352
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0087	0.0434	0.045
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0221	0.1263	0.1188
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.014	0.0763	0.0684
Echinococcus multilocularis	cyclin dependent kinase 5	0.0087	0.0434	0.0352
Echinococcus granulosus	cyclin dependent kinase 5	0.0087	0.0434	0.0352
Schistosoma mansoni	aspartate carbamoyltransferase	0.014	0.0763	0.0684
Plasmodium falciparum	carbamoyl phosphate synthetase	0.014	0.0763	0.1059
Wolbachia endosymbiont of Brugia malayi	Acetyl-CoA carboxylase, carboxyltransferase component	0.0221	0.1263	0.2905
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0036	0.0037
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0221	0.1263	0.3071
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0221	0.1263	0.3071
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0085	0.0088
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0057	0.0247	0.0163
Echinococcus granulosus	cyclin dependent kinase	0.0087	0.0434	0.0352
Schistosoma mansoni	serine/threonine protein kinase	0.0087	0.0434	0.0352
Entamoeba histolytica	cell division protein kinase 2, putative	0.0087	0.0434	0.2519
Trypanosoma brucei	unspecified product	0.0408	0.2424	0.2359
Brugia malayi	hypothetical protein	0.023	0.1319	0.1335
Treponema pallidum	pyruvate carboxylase subunit B	0.0057	0.0247	0.5
Chlamydia trachomatis	acetyl-CoA carboxylase biotin carboxyl carrier protein	0.0057	0.0247	0.0729
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0115	0.0606	0.0525
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0221	0.1263	0.1941
Echinococcus granulosus	cyclin dependent kinase 1	0.0087	0.0434	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0085	0.0088
Plasmodium falciparum	protein kinase 5	0.0087	0.0434	0.0603
Mycobacterium tuberculosis	DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase	0.0057	0.0247	0.0601
Leishmania major	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0057	0.0247	0.0212
Trypanosoma cruzi	dihydrolipoamide branched chain transacylase, putative	0.0057	0.0247	0.0267
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0115	0.0606	0.0525
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0087	0.0434	0.045
Trypanosoma cruzi	dihydrolipoamide branched chain transacylase, putative	0.0057	0.0247	0.0267
Trichomonas vaginalis	cyclins, putative	0.0031	0.0085	0.1482
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0087	0.0434	0.0192
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.062	0.3743	0.9103
Schistosoma mansoni	dihydrolipoamide S-acetyltransferase	0.0057	0.0247	0.0163
Plasmodium falciparum	lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex	0.0057	0.0247	0.0343
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0036	0.0088
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0036	0.0088
Onchocerca volvulus		0.0047	0.0184	1
Echinococcus multilocularis	cyclin dependent kinase	0.0087	0.0434	0.0352
Trichomonas vaginalis	CMGC family protein kinase	0.0087	0.0434	1
Trypanosoma cruzi	cdc2-related kinase 3	0.0087	0.0434	0.0576
Leishmania major	acetyl-CoA carboxylase, putative	0.1629	1	1
Wolbachia endosymbiont of Brugia malayi	carbamoyl phosphate synthase large subunit	0.014	0.0763	0.1476
Echinococcus multilocularis	cyclin dependent kinase 1	0.0087	0.0434	0.0352
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0036	0.0088
Mycobacterium ulcerans	branched-chain alpha-keto acid dehydrogenase subunit E2	0.0057	0.0247	0.0601
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0221	0.1263	0.1188
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0036	0.0088
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0221	0.1263	0.3071
Schistosoma mansoni	dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase	0.0057	0.0247	0.0163
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.062	0.3743	0.6031
Onchocerca volvulus		0.0023	0.0036	0.1182
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0087	0.0434	0.04
Echinococcus multilocularis	dihydrolipoyllysine residue succinyltransferase	0.0057	0.0247	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0036	0.0037
Leishmania major	carbamoyl-phosphate synthase, putative	0.014	0.0763	0.073
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.062	0.3743	1
Trypanosoma cruzi	acetyl-CoA carboxylase	0.1008	0.615	1
Mycobacterium tuberculosis	Biotinylated protein TB7.3	0.0057	0.0247	0.0601
Mycobacterium ulcerans	pyruvate carboxylase	0.062	0.3743	0.9103
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0036	0.0088
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.062	0.3743	0.9103
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.014	0.0763	0.1856
Plasmodium falciparum	dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex	0.0057	0.0247	0.0343
Trichomonas vaginalis	cyclin B, putative	0.0031	0.0085	0.1482
Schistosoma mansoni	hypothetical protein	0.0047	0.0184	0.01
Trypanosoma brucei	glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative	0.014	0.0763	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0247	0.0256
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.1629	1	1
Trichomonas vaginalis	cyclin A, putative	0.0031	0.0085	0.1482
Giardia lamblia	Kinase, CMGC CDK	0.0087	0.0434	0.2279
Trypanosoma cruzi	cdc2-related kinase 3	0.0087	0.0434	0.0576
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0221	0.1263	0.1231
Trichomonas vaginalis	cyclins, putative	0.0031	0.0085	0.1482
Brugia malayi	Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta	0.0057	0.0247	0.022
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.062	0.3743	0.6031
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0184	0.01
Trichomonas vaginalis	cyclin B, putative	0.0031	0.0085	0.1482
Entamoeba histolytica	cyclin, putative	0.0031	0.0085	0.031
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.1319	0.1245
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.062	0.3743	0.9103
Leishmania major	dihydrolipoamide branched chain transacylase, putative	0.0057	0.0247	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0247	0.0256
Leishmania major	dihydrolipoamide acetyltransferase precursorlike protein	0.0057	0.0247	0.0212
Plasmodium vivax	dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative	0.0057	0.0247	0.0343
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0221	0.1263	0.1941
Trypanosoma cruzi	dihydrolipoamide acetyltransferase precursor, putative	0.0057	0.0247	0.0267
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0115	0.0606	0.0525
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0221	0.1263	0.1188
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0115	0.0606	0.0593
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0115	0.0606	0.0628
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0278	0.1617	1
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.062	0.3743	0.3689
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.1629	1	1
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.062	0.3743	0.3689
Mycobacterium ulcerans	short chain dehydrogenase	0.068	0.4112	1
Mycobacterium tuberculosis	Probable branched-chain keto acid dehydrogenase E2 component BkdC	0.0057	0.0247	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0036	0.0037
Chlamydia trachomatis	acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	0.0221	0.1263	0.3726
Chlamydia trachomatis	dihydrolipoamide acetyltransferase	0.0057	0.0247	0.0729
Brugia malayi	cell division control protein 2 homolog	0.0087	0.0434	0.0414
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0221	0.1263	0.3071
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0221	0.1263	0.1941
Trypanosoma cruzi	glutamine dependent carbamoyl-phosphate synthase, putative	0.014	0.0763	0.1118
Trypanosoma brucei	pyruvate dehydrogenase complex E3 binding protein, putative	0.0057	0.0247	0.0163
Trypanosoma cruzi	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0057	0.0247	0.0267
Mycobacterium ulcerans	dihydrolipoamide acetyltransferase	0.0057	0.0247	0.0601
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0036	0.0088
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0184	0.0154
Plasmodium vivax	protein kinase Crk2	0.0087	0.0434	0.0603
Plasmodium vivax	lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative	0.0057	0.0247	0.0343
Trypanosoma brucei	cdc2-related kinase 1	0.0087	0.0434	0.0352
Chlamydia trachomatis	biotin carboxylase	0.0563	0.3389	1
Trichomonas vaginalis	cyclin B, putative	0.0031	0.0085	0.1482
Schistosoma mansoni	serine/threonine protein kinase	0.0087	0.0434	0.0352
Echinococcus multilocularis	cyclin dependent kinase 1	0.0087	0.0434	0.0352
Trichomonas vaginalis	cyclins, putative	0.0031	0.0085	0.1482
Leishmania major	cyclin	0.0031	0.0085	0.0049
Schistosoma mansoni	pyruvate carboxylase	0.062	0.3743	0.3689
Toxoplasma gondii	carbamoylphosphate synthetase	0.014	0.0763	0.0529
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0087	0.0434	0.045
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.062	0.3743	1
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0278	0.1617	1
Leishmania major	dihydrolipoamide acetyltransferase precursor, putative	0.0057	0.0247	0.0212
Trypanosoma brucei	acetyl-CoA carboxylase	0.1629	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0036	0.0088
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0087	0.0434	0.04
Trypanosoma cruzi	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0057	0.0247	0.0267
Trypanosoma brucei	cdc2-related kinase 3	0.0087	0.0434	0.0352
Trypanosoma cruzi	cdc2-related kinase 1	0.0087	0.0434	0.0576
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0221	0.1263	0.1041
Trichomonas vaginalis	cyclin B, putative	0.0031	0.0085	0.1482
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0247	0.0256
Chlamydia trachomatis	dihydrolipoamide succinyltransferase	0.0057	0.0247	0.0729
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.062	0.3743	0.9103
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0036	0.0088
Trypanosoma cruzi	dihydrolipoamide acetyltransferase, putative	0.0057	0.0247	0.0267
Brugia malayi	Protein kinase domain containing protein	0.0087	0.0434	0.0414
Toxoplasma gondii	pyruvate carboxylase	0.062	0.3743	0.3584
Trypanosoma brucei	2-oxoglutarate dehydrogenase E2 component, putative	0.0057	0.0247	0.0163
Echinococcus multilocularis	dihydrolipoyllysine residue acetyltransferase	0.0057	0.0247	0.0163
Loa Loa (eye worm)	hypothetical protein	0.023	0.1319	0.1368
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0031	0.0085	0.0051

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 145 nM	Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA	ChEMBL.	22440625
EC50 (binding)	= 802 nM	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA	ChEMBL.	22440625

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: CHEMBL2023421

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1644381