TDR Targets

Basic information

Technical information

TDR Targets ID: 1169304
Name: 1,3-dicyclohexyl-2-methylguanidine
MW: 237.384 | Formula: C14H27N3
H donors: 2 H acceptors: 0 LogP: 3.17 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN=C(NC1CCCCC1)NC1CCCCC1
InChi: 1S/C14H27N3/c1-15-14(16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H2,15,16,17)
InChiKey: LMYCTHOCZIDLPC-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1,3-dicyclohexyl-2-methyl-guanidine

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
Trypanosoma cruzi	cytochrome P450, putative	0.0059	0.0304	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.005	0.0235	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0075	0.2462
Schistosoma mansoni	patched 1	0.0043	0.0183	0.0183
Schistosoma mansoni	topbp1	0.002	0.0022	0.0022
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.0615	0.0754
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0022	0.0496
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.0895	0.0895
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0817	0.5742	0.5742
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.0589	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0075	0.4707
Schistosoma mansoni	ap endonuclease	0.0019	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0181	0.0222
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0013	0.0013
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.0589	0.0722
Brugia malayi	Cytochrome P450 family protein	0.0059	0.0304	0.0373
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0022	0.0496
Giardia lamblia	Replication factor C, subunit 1	0.002	0.0022	0.0023
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0013	0.0434
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0111	0.0111
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0022	0.0496
Schistosoma mansoni	hypothetical protein	0.0033	0.0111	0.0111
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.002	0.0022	1
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0111	0.0111
Schistosoma mansoni	ceramide glucosyltransferase	0.1154	0.8156	0.8156
Loa Loa (eye worm)	hypothetical protein	0.002	0.0022	0.0026
Leishmania major	4-coumarate:coa ligase-like protein	0.005	0.0235	0.7416
Echinococcus multilocularis	ceramide glucosyltransferase	0.1154	0.8156	0.8156
Schistosoma mansoni	microtubule-associated protein tau	0.1411	1	1
Echinococcus multilocularis	tumor protein p63	0.0369	0.2527	0.2527
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.002	0.0022	0.0496
Plasmodium vivax	acyl-CoA synthetase, putative	0.0037	0.0144	1
Brugia malayi	Ceramide glucosyltransferase	0.1154	0.8156	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0111	0.0136
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0075	0.2367
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0144	0.0177
Entamoeba histolytica	acyl-CoA synthetase, putative	0.005	0.0235	0.3844
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0013	0.0417
Echinococcus multilocularis	protein patched	0.0043	0.0183	0.0183
Schistosoma mansoni	ceramide glucosyltransferase	0.1154	0.8156	0.8156
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.0304	0.0373
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0316	0.0316
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0316	1
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.1154	0.8156	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0183	0.0224
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0316	0.0316
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.06	0.06
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.0022	0.0496
Echinococcus granulosus	expressed conserved protein	0.0093	0.0546	0.0546
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0183	0.0183
Mycobacterium ulcerans	hypothetical protein	0.005	0.0235	0.7416
Loa Loa (eye worm)	hypothetical protein	0.002	0.0022	0.0026
Brugia malayi	AMP-binding enzyme family protein	0.005	0.0235	0.0288
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0111	0.0111
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.002	0.0022	0.0683
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0546	0.0546
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0111	0.0111
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.005	0.0235	0.7416
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0013	0.0417
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0013	0.0016
Schistosoma mansoni	hypothetical protein	0.0041	0.0172	0.0172
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0316	0.0316
Brugia malayi	hypothetical protein	0.0028	0.0075	0.0092
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0111	0.0111
Schistosoma mansoni	topbp1	0.002	0.0022	0.0022
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0235	0.7416
Leishmania major	4-coumarate:coa ligase-like protein	0.005	0.0235	0.7416
Schistosoma mansoni	hypothetical protein	0.007	0.0381	0.0381
Echinococcus granulosus	GPCR family 2	0.0033	0.0111	0.0111
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0037	0.0144	0.456
Loa Loa (eye worm)	hypothetical protein	0.002	0.0022	0.0026
Brugia malayi	hypothetical protein	0.002	0.0022	0.0026
Echinococcus multilocularis	replication factor c subunit 1	0.002	0.0022	0.0022
Loa Loa (eye worm)	ceramide glucosyltransferase	0.1154	0.8156	1
Leishmania major	hypothetical protein, conserved	0.0028	0.0075	0.2367
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0075	0.0092
Schistosoma mansoni	cellular tumor antigen P53	0.0054	0.0265	0.0265
Entamoeba histolytica	acyl-coA synthetase, putative	0.005	0.0235	0.3844
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.005	0.0235	0.7416
Brugia malayi	AMP-binding enzyme family protein	0.005	0.0235	0.0288
Schistosoma mansoni	hypothetical protein	0.0033	0.0111	0.0111
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.0304	0.0373
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.002	0.0022	0.0496
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.0895	0.0895
Trypanosoma cruzi	hypothetical protein, conserved	0.002	0.0022	0.071
Leishmania major	4-coumarate:coa ligase-like protein	0.005	0.0235	0.7416
Brugia malayi	Cytochrome P450 family protein	0.0059	0.0304	0.0373
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.0615	0.0754
Entamoeba histolytica	acyl-CoA synthetase, putative	0.005	0.0235	0.3844
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.0615	0.0754
Toxoplasma gondii	ATPase, AAA family protein	0.002	0.0022	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0615	0.0754
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0316	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0316	0.0316
Loa Loa (eye worm)	hypothetical protein	0.005	0.0235	0.0288
Brugia malayi	topoisomerase	0.002	0.0022	0.0026
Echinococcus multilocularis	microtubule associated protein 2	0.1411	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0251	0.0308
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.002	0.0022	0.0921
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0316	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.005	0.0235	0.7416
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0013	0.0016
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0022	0.0496
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0183	0.0183
Trypanosoma cruzi	FHA domain containing protein, putative	0.002	0.0022	0.071
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.005	0.0235	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0144	0.0177
Leishmania major	cytochrome p450-like protein	0.0059	0.0304	0.9613
Loa Loa (eye worm)	hypothetical protein	0.002	0.0022	0.0026
Loa Loa (eye worm)	hypothetical protein	0.002	0.0022	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0144	0.0177
Echinococcus granulosus	ceramide glucosyltransferase	0.1154	0.8156	0.8156
Echinococcus granulosus	tumor protein p63	0.0369	0.2527	0.2527
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0037	0.0144	0.456
Loa Loa (eye worm)	CYP4Cod1	0.0059	0.0304	0.0373
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0235	0.7416
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0059	0.0304	0.9613
Echinococcus multilocularis	nibrin	0.002	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0144	0.0177
Trypanosoma cruzi	hypothetical protein, conserved	0.002	0.0022	0.071
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0381	0.0468
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.005	0.0235	0.7416
Loa Loa (eye worm)	hypothetical protein	0.005	0.0235	0.0288
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.002	0.0022	0.0146
Onchocerca volvulus		0.0054	0.0265	0.0299
Brugia malayi	Pax transcription activation domain interacting protein	0.002	0.0022	0.0026
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.0589	0.0589
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0022	0.0496
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0013	0.0434
Plasmodium falciparum	acyl-CoA synthetase	0.0037	0.0144	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0111	0.0136
Trypanosoma brucei	cytochrome P450, putative	0.0059	0.0304	1
Echinococcus granulosus	neuropeptide s receptor	0.0479	0.3316	0.3316
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0075	0.2462
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0316	1
Treponema pallidum	DNA ligase (lig)	0.002	0.0022	1
Entamoeba histolytica	hypothetical protein	0.002	0.0022	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0183	0.0224
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.0235	0.7416
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0037	0.0144	1
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.002	0.0022	0.0026
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0013	0.0434
Brugia malayi	DKFZp564C0469 protein	0.002	0.0022	0.0026
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0075	0.4707
Loa Loa (eye worm)	hypothetical protein	0.005	0.0235	0.0288
Echinococcus granulosus	nibrin	0.002	0.0022	0.0022
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0013	0.0013
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.013	0.4099
Plasmodium vivax	replication factor C subunit 1, putative	0.002	0.0022	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0265	0.0325
Schistosoma mansoni	chromosome transmission fidelity factor	0.002	0.0022	0.0022
Echinococcus granulosus	replication factor c subunit 1	0.002	0.0022	0.0022
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.002	0.0022	0.071
Onchocerca volvulus		0.005	0.0235	0.0262
Schistosoma mansoni	hypothetical protein	0.0041	0.0172	0.0172
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0111	0.0136
Echinococcus granulosus	neuropeptide receptor A26	0.0479	0.3316	0.3316
Schistosoma mansoni	hypothetical protein	0.0041	0.0172	0.0172
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.0589	0.0589
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.013	0.4099
Loa Loa (eye worm)	hypothetical protein	0.007	0.0381	0.0468
Brugia malayi	AMP-binding enzyme family protein	0.005	0.0235	0.0288
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0183	1
Brugia malayi	CHE-14 protein	0.0043	0.0183	0.0224
Echinococcus multilocularis	neuropeptide s receptor	0.0479	0.3316	0.3316
Loa Loa (eye worm)	hypothetical protein	0.002	0.0022	0.0026
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0235	0.7416
Schistosoma mansoni	ap endonuclease	0.0019	0.0013	0.0013
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0226	0.0226
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.013	0.4099
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0316	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0172	0.0172
Trichomonas vaginalis	replication factor C large subunit, putative	0.002	0.0022	0.0496
Echinococcus multilocularis	neuropeptide receptor A26	0.0479	0.3316	0.3316
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0075	0.4707
Schistosoma mansoni	DNA ligase IV	0.002	0.0022	0.0022
Toxoplasma gondii	exonuclease III APE	0.0019	0.0013	0.0417
Brugia malayi	hypothetical protein	0.002	0.0022	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0111	0.0136
Giardia lamblia	Ceramide glucosyltransferase	0.0523	0.363	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0075	0.2462
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0144	0.0177
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0013	0.0417
Brugia malayi	hypothetical protein	0.0018	0.0005	0.0006
Schistosoma mansoni	hypothetical protein	0.0033	0.0111	0.0111
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.0022	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0589	0.0722
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.005	0.0235	0.7416
Plasmodium falciparum	replication factor C subunit 1, putative	0.002	0.0022	0.0641
Trypanosoma cruzi	cytochrome P450, putative	0.0059	0.0304	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0183	0.0183
Schistosoma mansoni	hypothetical protein	0.0033	0.0111	0.0111
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.002	0.0022	0.0683
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.013	0.4099
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0316	1
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.002	0.0022	0.071

Activities

No activities found for this compound.

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: CHEMBL1191952

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1169304