TDR Targets

Basic information

Technical information

TDR Targets ID: 421805
Name: N-[1-(3-methylbutyl)piperidin-3-yl]-1H-indazo l-5-amine
MW: 286.415 | Formula: C17H26N4
H donors: 2 H acceptors: 1 LogP: 3.82 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(CCN1CCCC(C1)Nc1ccc2c(c1)cn[nH]2)C
InChi: 1S/C17H26N4/c1-13(2)7-9-21-8-3-4-16(12-21)19-15-5-6-17-14(10-15)11-18-20-17/h5-6,10-11,13,16,19H,3-4,7-9,12H2,1-2H3,(H,18,20)
InChiKey: NSGMJAZKHYZPCN-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-(1-isopentyl-3-piperidyl)-1H-indazol-5-amine
N-(1-isopentyl-3-piperidinyl)-1H-indazol-5-amine
1H-indazol-5-yl-(1-isoamyl-3-piperidyl)amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	Rho-associated, coiled-coil containing protein kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	Get druggable targets OG5_131020	All targets in OG5_131020
Schistosoma japonicum	IPR002219,Protein kinase C, phorbol ester/diacylglycerol binding,domain-containing	Get druggable targets OG5_131020	All targets in OG5_131020
Onchocerca volvulus		Get druggable targets OG5_131020	All targets in OG5_131020
Echinococcus granulosus	rho-associated protein kinase 1	Get druggable targets OG5_131020	All targets in OG5_131020
Onchocerca volvulus		Get druggable targets OG5_131020	All targets in OG5_131020
Schistosoma japonicum	Rho-associated protein kinase 1, putative	Get druggable targets OG5_131020	All targets in OG5_131020
Echinococcus multilocularis	rho associated protein kinase	Get druggable targets OG5_131020	All targets in OG5_131020
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_131020	All targets in OG5_131020
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_131020	All targets in OG5_131020

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
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0546	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0204	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0158	0.2567	0.2567
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0204	0.0125
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0033	0.0153	0.0153
Schistosoma mansoni	alpha-glucosidase	0.0136	0.2144	0.4909
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.066	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0201	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0201	0.0201
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0201	0.0946
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.2567	0.5952
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0201	0.0118
Schistosoma mansoni	alpha-glucosidase	0.0136	0.2144	0.4909
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0201	0.0201
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0204	0.0204
Trypanosoma cruzi	glyoxalase II	0.0033	0.0153	0.7517
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0201	0.0131
Mycobacterium ulcerans	lipase LipD	0.0035	0.0201	0.0946
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0201	0.0201
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0244	0.4209	1
Giardia lamblia	Metallo-beta-lactamase superfamily protein	0.0033	0.0153	0.5
Brugia malayi	hypothetical protein	0.0033	0.0153	0.0153
Trypanosoma cruzi	glyoxalase II	0.0033	0.0153	0.7517
Trypanosoma brucei	cleavage and polyadenylation specificity factor subunit, putative	0.0033	0.0153	0.7517
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0201	0.0118
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.066	0.1248
Trypanosoma brucei	hydroxyacylglutathione hydrolase, putative	0.0033	0.0153	0.7517
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0204	1
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0201	0.0946
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0033	0.0153	0.2325
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0204	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0204	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0204	0.0125
Leishmania major	hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative	0.0033	0.0153	0.2325
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0201	1
Leishmania major	metallo-beta-lactamase family protein-like protein	0.0033	0.0153	0.2325
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0064	0.0754	0.0754
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.066	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0201	0.0201
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0201	0.9454
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0204	1
Loa Loa (eye worm)	hypothetical protein	0.0244	0.4209	0.4209
Brugia malayi	beta-lactamase family protein	0.0035	0.0201	0.0201
Loa Loa (eye worm)	hypothetical protein	0.013	0.2015	0.2015
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.066	0.1248
Leishmania major	hypothetical protein, conserved	0.0035	0.0201	0.3052
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0244	0.4209	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0204	0.0204
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.066	0.1248
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0201	0.0131
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0201	0.0946
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0201	0.0131
Onchocerca volvulus		0.0176	0.29	1
Leishmania major	cleavage and polyadenylation specificity factor, putative	0.0033	0.0153	0.2325
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0033	0.0153	0.5
Echinococcus multilocularis	geminin	0.0164	0.2682	0.6235
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0244	0.4209	0.4209
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0201	0.0201
Schistosoma mansoni	serine/threonine protein kinase	0.0176	0.29	0.6772
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0244	0.4209	1
Leishmania major	hypothetical protein, conserved	0.0033	0.0153	0.2325
Leishmania major	metallo-beta-lactamase family-like protein	0.0033	0.0153	0.2325
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0033	0.0153	0.7517
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.013	0.2015	0.2015
Onchocerca volvulus		0.0035	0.0201	0.0174
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0204	1
Onchocerca volvulus		0.0092	0.1287	0.4126
Echinococcus granulosus	rho-associated protein kinase 1	0.0176	0.29	0.6772
Plasmodium vivax	unspecified product	0.0033	0.0153	0.762
Echinococcus granulosus	lysosomal alpha glucosidase	0.0158	0.2567	0.5952
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0204	0.3094
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.2567	0.5952
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0201	0.0201
Onchocerca volvulus		0.0035	0.0201	0.0174
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0033	0.0153	0.762
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0033	0.0153	0.7517
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.066	0.1381
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0033	0.0153	0.7517
Schistosoma mansoni	alpha glucosidase	0.0035	0.0204	0.0125
Schistosoma mansoni	dopamine-beta-monooxygenase	0.013	0.2015	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0153	0.0153
Trichomonas vaginalis	esterase, putative	0.0035	0.0201	0.9454
Brugia malayi	beta-lactamase family protein	0.0035	0.0201	0.0201
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0204	1
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0033	0.0153	0.7517
Trypanosoma brucei	metallo-beta-lactamase-like protein, putative	0.0033	0.0153	0.7517
Echinococcus multilocularis	rho associated protein kinase	0.0176	0.29	0.6772
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0033	0.0153	0.2325
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0201	1
Echinococcus granulosus	geminin	0.0164	0.2682	0.6235
Chlamydia trachomatis	ribonuclease Z	0.0033	0.0153	0.5
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0204	0.3094
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0204	1
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0201	1
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0033	0.0153	0.7517
Trypanosoma brucei	glucosidase, putative	0.0035	0.0204	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0201	0.9864
Onchocerca volvulus		0.0175	0.2893	0.9974
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0201	0.9864
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0201	0.0946
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0033	0.0153	0.7517
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.066	0.1248
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0033	0.0153	0.0153
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0201	0.0118
Toxoplasma gondii	ABC1 family protein	0.0035	0.0201	0.3052
Schistosoma mansoni	hypothetical protein	0.0164	0.2682	0.6235
Schistosoma mansoni	peptidylglycine monooxygenase	0.013	0.2015	0.4591
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0204	1
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0201	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0153	0.0153
Trypanosoma brucei	glyoxalase II	0.0033	0.0153	0.7517
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0033	0.0153	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0153	0.0153
Brugia malayi	Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site.	0.0033	0.0153	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0201	0.0201
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0204	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0201	0.9454
Trypanosoma cruzi	glyoxalase II	0.0033	0.0153	0.7517
Brugia malayi	beta-lactamase	0.0035	0.0201	0.0201
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.066	1
Onchocerca volvulus		0.0035	0.0201	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0153	0.0153
Schistosoma mansoni	hypothetical protein	0.0164	0.2682	0.6235
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0033	0.0153	0.5
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0066	0.0791	0.0791
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0201	0.0131
Brugia malayi	ethe1-prov protein	0.0033	0.0153	0.0153
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0201	0.0131
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0201	0.9454
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0033	0.0153	0.0153
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0201	0.0118
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.066	1
Treponema pallidum	ribonuclease Z	0.0033	0.0153	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0201	0.9864
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0201	0.0131
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0201	0.9454
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0204	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0201	0.0131
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.3818	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0158	0.2567	0.2567
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0201	0.0131
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0204	1
Plasmodium falciparum	cytosolic glyoxalase II	0.0033	0.0153	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0204	1
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0033	0.0153	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0201	0.0201
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0201	0.0131
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.066	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0201	0.9454
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0033	0.0153	0.0153

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)		Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemotaxis assay	ChEMBL.	17046269
IC50 (functional)	0	Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemotaxis assay	ChEMBL.	17046269
IC50 (binding)	= 340 nM	Inhibition of Rho kinase	ChEMBL.	17046269
IC50 (binding)	= 340 nM	Inhibition of Rho kinase	ChEMBL.	17046269

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: CHEMBL427085
PubChem: 17838157

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 421805