TDR Targets

Basic information

Technical information

TDR Targets ID: 148157
Name: N-[[4-[[cyclobutyl-[2-(2,4-dichlorophenyl)-2- hydroxyethyl]carbamoyl]amino]phenyl]methyl]-2 ,2-dimethylpropanamide
MW: 492.438 | Formula: C25H31Cl2N3O3
H donors: 3 H acceptors: 3 LogP: 4.64 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)Cl)C(CN(C(=O)Nc1ccc(cc1)CNC(=O)C(C)(C)C)C1CCC1)O
InChi: 1S/C25H31Cl2N3O3/c1-25(2,3)23(32)28-14-16-7-10-18(11-8-16)29-24(33)30(19-5-4-6-19)15-22(31)20-12-9-17(26)13-21(20)27/h7-13,19,22,31H,4-6,14-15H2,1-3H3,(H,28,32)(H,29,33)
InChiKey: MOZNLIWSVNCSRQ-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-[[4-[[cyclobutyl-[2-(2,4-dichlorophenyl)-2-hydroxy-ethyl]carbamoyl]amino]phenyl]methyl]-2,2-dimethyl-propanamide
N-[[4-[[[cyclobutyl-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]-oxomethyl]amino]phenyl]methyl]-2,2-dimethylpropanamide
N-[4-[[cyclobutyl-[2-(2,4-dichlorophenyl)-2-hydroxy-ethyl]carbamoyl]amino]benzyl]-2,2-dimethyl-propionamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.063	0.063
Loa Loa (eye worm)	MH1 domain-containing protein	0.0044	0.0236	0.0236
Onchocerca volvulus		0.0033	0.0092	0.0368
Echinococcus granulosus	GPCR family 2	0.0034	0.0102	0.0102
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0102	0.0102
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0107	0.1084	0.1084
Brugia malayi	MH1 domain containing protein	0.0044	0.0236	0.0236
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0033	0.0092	0.0092
Brugia malayi	guanine nucleotide-binding protein alpha-3 subunit, putative	0.0033	0.0092	0.0092
Loa Loa (eye worm)	MH2 domain-containing protein	0.0646	0.8289	0.8289
Schistosoma mansoni	hypothetical protein	0.0073	0.063	0.063
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0774	1	1
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0033	0.0092	0.0092
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0209	0.2436	0.2436
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0092	0.0092
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0774	1	1
Schistosoma mansoni	hypothetical protein	0.005	0.0314	0.0314
Giardia lamblia	Hypothetical protein	0.0026	0	0.5
Echinococcus multilocularis	gtp binding protein (I) alpha 1subunit	0.0033	0.0092	0.0092
Echinococcus granulosus	expressed protein	0.0033	0.0092	0.0092
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0102	0.0102
Brugia malayi	guanine nucleotide-binding protein G(o), alpha subunit, putative	0.0033	0.0092	0.0092
Giardia lamblia	DUB-1	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0092	0.0092
Loa Loa (eye worm)	G protein alpha subunit 3	0.0033	0.0092	0.0092
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0033	0.0092	0.0092
Brugia malayi	MH2 domain containing protein	0.0044	0.0236	0.0236
Schistosoma mansoni	hypothetical protein	0.0034	0.0102	0.0102
Plasmodium vivax	ataxin-2 like protein, putative	0.0111	0.1134	1
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-6 subunit	0.0033	0.0092	0.0092
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0033	0.0092	0.0092
Trypanosoma cruzi	PAB1-binding protein , putative	0.0111	0.1134	1
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0033	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0092	0.0092
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0033	0.0092	0.0092
Brugia malayi	MH1 domain containing protein	0.0044	0.0236	0.0236
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0044	0.0236	0.0236
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0044	0.0236	0.0236
Echinococcus multilocularis	tar DNA binding protein	0.0326	0.4008	0.4008
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0774	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0774	1	1
Echinococcus granulosus	smad	0.0044	0.0236	0.0236
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0033	0.0092	0.0092
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.005	0.0314	0.0314
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0026	0	0.5
Schistosoma mansoni	GTP-binding protein (I) alpha subunit gnai	0.0033	0.0092	0.0092
Brugia malayi	hypothetical protein	0.0072	0.0607	0.0607
Schistosoma mansoni	smad1 5 8 and	0.0044	0.0236	0.0236
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0026	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0033	0.0092	0.0092
Onchocerca volvulus		0.0033	0.0092	0.0368
Brugia malayi	RNA recognition motif domain containing protein	0.0326	0.4008	0.4008
Loa Loa (eye worm)	TAR-binding protein	0.0326	0.4008	0.4008
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0102	0.0102
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-12 subunit	0.0033	0.0092	0.0092
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.4008	0.4008
Loa Loa (eye worm)	hypothetical protein	0.0282	0.3418	0.3418
Echinococcus multilocularis	smad	0.0044	0.0236	0.0236
Trichomonas vaginalis	GTP-binding protein (O) alpha subunit, gnao, putative	0.0033	0.0092	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.063	0.063
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0033	0.0092	0.0092
Brugia malayi	TAR-binding protein	0.0326	0.4008	0.4008
Schistosoma mansoni	hypothetical protein	0.0034	0.0102	0.0102
Schistosoma mansoni	trimeric G-protein alpha o subunit	0.0033	0.0092	0.0092
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.4008	0.4008
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0092	0.0092
Schistosoma mansoni	Smad4	0.0044	0.0236	0.0236
Brugia malayi	hypothetical protein	0.0111	0.1134	0.1134
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0044	0.0236	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0102	0.0102
Loa Loa (eye worm)	transcription factor SMAD2	0.0646	0.8289	0.8289
Loa Loa (eye worm)	Smad1	0.0044	0.0236	0.0236
Brugia malayi	GTP-binding regulatory protein alpha chain - starfish, putative	0.0033	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0213	0.2499	0.2499
Onchocerca volvulus		0.0033	0.0092	0.0368
Loa Loa (eye worm)	heterotrimeric G protein alpha subunit	0.0033	0.0092	0.0092
Trypanosoma cruzi	PAB1-binding protein , putative	0.0111	0.1134	1
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0033	0.0092	0.0092
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0033	0.0092	0.0092
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0026	0	0.5
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0033	0.0092	0.0092
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0033	0.0092	0.0092
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0033	0.0092	0.0092
Echinococcus granulosus	Smad4	0.0044	0.0236	0.0236
Loa Loa (eye worm)	MH2 domain-containing protein	0.0044	0.0236	0.0236
Schistosoma mansoni	smad	0.0044	0.0236	0.0236
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0209	0.2436	0.2436
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0033	0.0092	0.0092
Plasmodium falciparum	ataxin-2 like protein, putative	0.0111	0.1134	1
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0033	0.0092	1
Brugia malayi	G-protein alpha subunit	0.0033	0.0092	0.0092
Echinococcus granulosus	tar DNA binding protein	0.0326	0.4008	0.4008
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0033	0.0092	1
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0033	0.0092	0.0092
Brugia malayi	guanine nucleotide-binding protein alpha-7 subunit, putative	0.0033	0.0092	0.0092
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.005	0.0314	0.0314
Brugia malayi	guanine nucleotide-binding protein G-o protein alpha subunit	0.0033	0.0092	0.0092
Trichomonas vaginalis	G protein (olf) alpha subunit, gnal, putative	0.0033	0.0092	1
Trichomonas vaginalis	GTP-binding protein (q) alpha-11 subunit, gna11, putative	0.0033	0.0092	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0774	1	1
Echinococcus granulosus	gtp binding protein I alpha 1subunit	0.0033	0.0092	0.0092
Plasmodium falciparum	ataxin-2 like protein, putative	0.0111	0.1134	1
Brugia malayi	RNA binding protein	0.0326	0.4008	0.4008
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0282	0.3418	0.3418
Loa Loa (eye worm)	RNA binding protein	0.0326	0.4008	0.4008
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0213	0.2499	1
Brugia malayi	MH2 domain containing protein	0.0646	0.8289	0.8289
Echinococcus multilocularis	expressed protein	0.0033	0.0092	0.0092
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0102	0.0102
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.4008	0.4008
Brugia malayi	MH2 domain containing protein	0.0044	0.0236	0.0236
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0044	0.0236	0.0236
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0102	0.0102
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0774	1	1
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0033	0.0092	0.0092
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0033	0.0092	1
Brugia malayi	Guanine nucleotide-binding protein alpha-12 subunit, putative	0.0033	0.0092	0.0092
Loa Loa (eye worm)	GTP-binding regulatory protein alpha chain	0.0033	0.0092	0.0092
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0033	0.0092	0.0092
Trypanosoma brucei	PAB1-binding protein , putative	0.0111	0.1134	1
Brugia malayi	Guanine nucleotide-binding protein alpha-6 subunit, putative	0.0033	0.0092	0.0092
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.4008	0.4008
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1134	0.1134
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0774	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0107	0.1084	0.1084
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.4008	0.4008
Leishmania major	hypothetical protein, conserved	0.0111	0.1134	1
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0033	0.0092	0.0092
Schistosoma mansoni	hypothetical protein	0.0034	0.0102	0.0102
Echinococcus multilocularis	Smad4	0.0044	0.0236	0.0236
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0102	0.0102
Schistosoma mansoni	hypothetical protein	0.0034	0.0102	0.0102
Echinococcus granulosus	mothers against decapentaplegic 5	0.0044	0.0236	0.0236
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0033	0.0092	0.0092
Trichomonas vaginalis	GTP-binding protein (z) alpha subunit, gnaz, putative	0.0033	0.0092	1
Entamoeba histolytica	G protein alpha subunit, putative	0.0033	0.0092	1
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0033	0.0092	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0026	0	0.5
Brugia malayi	N-terminal motif family protein	0.0213	0.2499	0.2499
Toxoplasma gondii	LsmAD domain-containing protein	0.0111	0.1134	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0326	0.4008	0.4008
Brugia malayi	hypothetical protein	0.0033	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0092	0.0092
Brugia malayi	Smad1	0.0044	0.0236	0.0236
Schistosoma mansoni	smad1 5 8 and	0.0044	0.0236	0.0236
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0774	1	1
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0033	0.0092	0.0092
Schistosoma mansoni	smad1 5 8 and	0.0044	0.0236	0.0236

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 10 uM	Inhibitory concentration against TRAP-stimulated secretion of 3H serotonin from human platelets	ChEMBL.	11591503
IC50 (functional)	= 10 uM	Inhibitory concentration against TRAP-stimulated secretion of 3H serotonin from human platelets	ChEMBL.	11591503

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	11591503

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

PubChem: 10278184

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 148157