TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 568.658 | Formula: C33H29FN2O4S
H donors: 1 H acceptors: 4 LogP: 5.93 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Fc1cccc(c1)CNC(=O)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(CC1)Cc1ccccc1
InChi: 1S/C33H29FN2O4S/c34-25-9-4-8-24(19-25)21-35-33(38)28-10-5-11-29-31(28)32(37)27-13-12-26(20-30(27)41(29,39)40)36-16-14-23(15-17-36)18-22-6-2-1-3-7-22/h1-13,19-20,23H,14-18,21H2,(H,35,38)
InChiKey: NOLDDJBKHZLLEL-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	chromobox homolog 1	Starlite/ChEMBL	No references
Mycobacterium tuberculosis	UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme)	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G	Starlite/ChEMBL	No references
Pseudomonas aeruginosa	Beta Lactamase	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	toll-like receptor 9	Starlite/ChEMBL	No references
Homo sapiens	tumor susceptibility 101	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 2	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Tumor susceptibility gene 101 protein, putative	Get druggable targets OG5_128950	All targets in OG5_128950
Cryptosporidium parvum	ubiquitin C-terminal hydrolase of the cysteine proteinase fold	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania mexicana	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Onchocerca volvulus		Get druggable targets OG5_129545	All targets in OG5_129545
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	tsg101-related	Get druggable targets OG5_128950	All targets in OG5_128950
Schistosoma mansoni	chromobox protein	Get druggable targets OG5_129545	All targets in OG5_129545
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	tumor susceptibility gene 101 protein	Get druggable targets OG5_128950	All targets in OG5_128950
Trypanosoma brucei gambiense	ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	Get druggable targets OG5_128950	All targets in OG5_128950
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania donovani	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	Get druggable targets OG5_143180	All targets in OG5_143180
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium hominis	ubiquitin specific protease 66	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania braziliensis	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Theileria parva	hypothetical protein	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus granulosus	tumor susceptibility gene 101 protein	Get druggable targets OG5_128950	All targets in OG5_128950
Schistosoma mansoni	tsg101-related	Get druggable targets OG5_128950	All targets in OG5_128950
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Mycobacterium tuberculosis	UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme)	Get druggable targets OG5_139595	All targets in OG5_139595
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_128950	All targets in OG5_128950
Schistosoma japonicum	ko:K01931 tumor suppressor protein 101 [EC:6.3.2.19], putative	Get druggable targets OG5_128950	All targets in OG5_128950
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	Get druggable targets OG5_127431	All targets in OG5_127431
Candida albicans	ubiquitin-specific protease	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	Heterochromatin protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Mycobacterium ulcerans	UDP-galactopyranose mutase Glf	Get druggable targets OG5_139595	All targets in OG5_139595
Candida albicans	weak similarity to S. cerevisiae STP22 putative ubiquitin receptor, and to mouse tumor susceiptibility protein TSG101	Get druggable targets OG5_128950	All targets in OG5_128950
Trypanosoma congolense	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Onchocerca volvulus	Heterochromatin protein 1 homolog	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus multilocularis	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128950	All targets in OG5_128950
Schistosoma japonicum	IPR015063,Domain of unknown function DUF1873,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	heterochromatin protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	chromobox protein	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Chromobox protein homolog 5, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	tsg101-related	Get druggable targets OG5_128950	All targets in OG5_128950
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania infantum	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Mycobacterium ulcerans	class a beta-lactamase, BlaC	Get druggable targets OG5_143180	All targets in OG5_143180
Schistosoma japonicum	ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	hypothetical protein	Get druggable targets OG5_128950	All targets in OG5_128950
Mycobacterium leprae	Probable UDP-galactopyranose mutase Glf (UDP-galp mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme)	Get druggable targets OG5_139595	All targets in OG5_139595
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129545	All targets in OG5_129545
Candida albicans	weak similarity to S. cerevisiae STP22 putative ubiquitin receptor, and to mouse tumor susceiptibility protein TSG101	Get druggable targets OG5_128950	All targets in OG5_128950
Echinococcus multilocularis	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545

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 %
Plasmodium falciparum	ubiquitin specific protease, putative	ubiquitin specific peptidase 2	362 aa	378 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	transcription factor btf3, putative	0.0038	0.0278	0.5318
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0965	1
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0048	0.0428	0.0602
Schistosoma mansoni	chromobox protein	0.0084	0.0965	0.2758
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.0084	0.0963	0.2749
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0278	0.0956
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0412	0.07
Brugia malayi	chromobox protein homolog 3	0.0047	0.0412	0.169
Echinococcus granulosus	chromobox protein 1	0.0084	0.0965	0.2758
Schistosoma mansoni	chromobox protein	0.0084	0.0965	0.2758
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0048	0.0428	0.1757
Schistosoma mansoni	tsg101-related	0.007	0.0752	0.1905
Plasmodium vivax	basic transcription factor 3b, putative	0.0038	0.0278	1
Echinococcus granulosus	geminin	0.0205	0.2768	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0048	0.0428	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0048	0.0428	0.5308
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0048	0.0428	0.0602
Schistosoma mansoni	hypothetical protein	0.0205	0.2768	1
Mycobacterium ulcerans	UDP-galactopyranose mutase Glf	0.0688	1	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0963	0.3521
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0161	0.1674
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0312	0.4373	0.3013
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0048	0.0428	1
Leishmania major	hypothetical protein, conserved	0.003	0.0161	0.1674
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0278	0.0956
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0048	0.0428	0.0602
Brugia malayi	hypothetical protein	0.003	0.0161	0.0663
Mycobacterium tuberculosis	UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme)	0.0688	1	1
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0161	0.0292
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0048	0.0428	0.2931
Trypanosoma brucei	beta lactamase	0.015	0.1946	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0412	0.11
Brugia malayi	hypothetical protein	0.0182	0.2437	1
Trichomonas vaginalis	hypothetical protein	0.0041	0.0318	0.148
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.0084	0.0963	0.2749
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0048	0.0428	0.5
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0048	0.0428	0.0602
Echinococcus multilocularis	geminin	0.0205	0.2768	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0048	0.0428	0.0602
Brugia malayi	hypothetical protein	0.0084	0.0963	0.3951
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0051	0.0465	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2437	1
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0412	0.2714
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0048	0.0428	0.2931
Trypanosoma cruzi	transcription factor btf3, putative	0.0038	0.0278	0.5318
Trypanosoma brucei	transcription factor BTF3, putative	0.0038	0.0278	0.0927
Echinococcus granulosus	ubiquitin specific protease 41	0.0048	0.0428	0.0602
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	0.0057	0.0561	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0048	0.0428	0.1743
Onchocerca volvulus		0.0182	0.2437	1
Echinococcus granulosus	chromobox protein 1	0.0084	0.0965	0.2758
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0412	0.2714
Toxoplasma gondii	NAC domain-containing protein	0.0038	0.0278	1
Brugia malayi	Heterochromatin protein 1	0.0084	0.0965	0.396
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0428	0.2931
Schistosoma mansoni	tsg101-related	0.0057	0.0561	0.1135
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0278	0.0956
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0048	0.0428	1
Schistosoma mansoni	hypothetical protein	0.0205	0.2768	1
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0965	0.2758
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0465	0.3419
Brugia malayi	beta-NAC-like protein	0.0038	0.0278	0.1142
Leishmania major	basic transcription factor 3a, putative	0.0038	0.0278	0.5318
Loa Loa (eye worm)	heterochromatin protein 1	0.0084	0.0965	0.3532
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0965	0.2758
Plasmodium falciparum	basic transcription factor 3b, putative	0.0038	0.0278	1
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0465	0.3419
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0312	0.4373	0.3013
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0259	0.043
Schistosoma mansoni	tsg101-related	0.007	0.0752	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0428	0.1172
Loa Loa (eye worm)	ICD-1 protein	0.0038	0.0278	0.0513
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0965	1
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0048	0.0428	0.0602
Echinococcus multilocularis	ubiquitin specific protease 41	0.0048	0.0428	0.0602
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0161	0.1674

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	= 5.93 uM	PUBCHEM_BIOASSAY: Inhibitors of Mycobacterium tuberculosis UDP-galactopyranose mutase (UGM) enzyme Measured in Biochemical System Using Plate Reader - 2105-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504439]	ChEMBL.	No reference
IC50 (binding)	= 3.211 uM	PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]	ChEMBL.	No reference
IC50 (binding)	= 4.182 uM	PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)]	ChEMBL.	No reference
Potency (functional)	10.3119 uM	PubChem BioAssay. qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101: Hit Validation. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 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
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.5821 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)	17.7828 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	21.1923 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory)	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: CHEMBL1436864

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1337801