TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 270.33 | Formula: C15H18N4O
H donors: 1 H acceptors: 2 LogP: 1.21 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN1C[C@@H]2[C@H](C1)CN(C2)C(=O)c1cc2c([nH]1)nccc2
InChi: 1S/C15H18N4O/c1-18-6-11-8-19(9-12(11)7-18)15(20)13-5-10-3-2-4-16-14(10)17-13/h2-5,11-12H,6-9H2,1H3,(H,16,17)/t11-,12+
InChiKey: VOSWXKJWGVEJGR-TXEJJXNPSA-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	histamine receptor H4	Starlite/ChEMBL	References

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 brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0018	0.1381	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.5088	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.1381	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0053	0.7446	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.5088	1
Schistosoma mansoni	DNA polymerase eta	0.0014	0.0759	0.0831
Onchocerca volvulus	Cathepsin F homolog	0.0018	0.1381	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0014	0.0759	0.0759
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0039	0.5088	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0014	0.0759	0.0831
Toxoplasma gondii	cathepsin CPL	0.0018	0.1381	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.1203	0.1025
Onchocerca volvulus		0.0018	0.1381	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.1381	0.1432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Entamoeba histolytica	hypothetical protein	0.0038	0.4904	0.9611
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.4904	0.9611
Loa Loa (eye worm)	cysteine protease	0.0018	0.1381	0.1432
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0014	0.0759	0.0554
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.1203	0.1025
Brugia malayi	hypothetical protein	0.0038	0.4904	0.641
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.1381	0.2148
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.5088	0.5088
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Trypanosoma brucei	DNA polymerase IV, putative	0.0014	0.0759	0.0759
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.1381	0.2148
Loa Loa (eye worm)	ctsf protein	0.0018	0.1381	0.1432
Leishmania major	cathepsin L-like protease	0.0018	0.1381	0.0673
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.5088	0.4684
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.1381	0.2148
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0039	0.5088	0.6669
Onchocerca volvulus		0.0018	0.1381	1
Entamoeba histolytica	cysteine protease, putative	0.0018	0.1381	0.2148
Brugia malayi	Cathepsin L-like precursor	0.0018	0.1381	0.1432
Loa Loa (eye worm)	hypothetical protein	0.0036	0.4556	0.5918
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Entamoeba histolytica	hypothetical protein	0.0038	0.4904	0.9611
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.1381	0.1436
Echinococcus granulosus	GPCR family 2	0.0017	0.1203	0.1771
Trypanosoma cruzi	cruzipain precursor, putative	0.0068	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Schistosoma mansoni	hypothetical protein	0.0017	0.1203	0.1771
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.4904	0.9576
Leishmania major	cysteine peptidase A (CPA)	0.0018	0.1381	0.0673
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.1381	0.2148
Schistosoma mansoni	hypothetical protein	0.0017	0.1203	0.1771
Brugia malayi	Cathepsin L-like precursor	0.0018	0.1381	0.1432
Echinococcus multilocularis	GPCR, family 2	0.0017	0.1203	0.1025
Schistosoma mansoni	hypothetical protein	0.0038	0.4904	0.9611
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0039	0.5088	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.1381	0.2148
Trypanosoma brucei	unspecified product	0.0014	0.0759	0.0759
Leishmania major	cathepsin L-like protease	0.0018	0.1381	0.0673
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.7446	1
Brugia malayi	Cathepsin L-like precursor	0.0018	0.1381	0.1432
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.1381	0.2148
Schistosoma mansoni	hypothetical protein	0.0036	0.4556	0.8874
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Mycobacterium ulcerans	DNA polymerase IV	0.0014	0.0759	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.1203	0.1771
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0014	0.0759	0.0831
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0039	0.5088	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	1	1
Echinococcus granulosus	cathepsin l1	0.0018	0.1381	0.2148
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.5088	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.1381	0.2148
Echinococcus granulosus	dna polymerase eta	0.0014	0.0759	0.0831
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Echinococcus multilocularis	ubiquitin specific protease 41	0.0039	0.5088	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.5088	0.4684
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.1203	0.1181
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Entamoeba histolytica	hypothetical protein	0.0038	0.4904	0.9611
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.5088	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0018	0.1381	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0017	0.1203	0.1181
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0014	0.0759	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0014	0.0759	0.0554
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0062	0.8986	0.8903
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.1381	0.2148
Brugia malayi	Cathepsin L-like precursor	0.0018	0.1381	0.1432
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0018	0.1381	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.1381	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.1381	0.2148
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.1381	0.2148
Plasmodium vivax	vivapain-2	0.0018	0.1381	0.5
Echinococcus multilocularis	cysteine protease	0.0018	0.1381	0.1436
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0039	0.5088	1
Mycobacterium ulcerans	DNA polymerase IV	0.0014	0.0759	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.1381	0.1436
Entamoeba histolytica	hypothetical protein	0.0038	0.4904	0.9611
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.1381	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.1381	0.2148
Trypanosoma brucei	DNA polymerase IV, putative	0.0014	0.0759	0.0759
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0014	0.0759	0.0831
Onchocerca volvulus		0.0018	0.1381	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.4556	0.5918
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	1	1
Loa Loa (eye worm)	fibroinase	0.0018	0.1381	0.1432
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.4904	0.9611
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.1381	0.1432
Trypanosoma brucei	DNA polymerase IV, putative	0.0014	0.0759	0.0759
Onchocerca volvulus		0.0018	0.1381	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0759	0.0554
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.1203	0.1181
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.1381	0.2148
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0039	0.5088	1
Leishmania major	cathepsin L-like protease	0.0018	0.1381	0.0673
Echinococcus granulosus	ubiquitin specific protease 41	0.0039	0.5088	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Brugia malayi	Cathepsin L-like precursor	0.0018	0.1381	0.1432
Onchocerca volvulus		0.0018	0.1381	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	1	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0014	0.0759	0.0831
Onchocerca volvulus		0.0018	0.1381	1
Schistosoma mansoni	hypothetical protein	0.0017	0.1203	0.1771
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1381	0.1432
Leishmania major	cathepsin L-like protease	0.0018	0.1381	0.0673
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0039	0.5088	1
Leishmania major	cathepsin L-like protease	0.0068	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Onchocerca volvulus		0.0018	0.1381	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.1381	0.2148
Trichomonas vaginalis	DNA polymerase eta, putative	0.0014	0.0759	0.0831
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.1381	0.2148
Plasmodium vivax	vivapain-2	0.0018	0.1381	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.1203	0.1181
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.1381	0.2148
Brugia malayi	Cathepsin L-like precursor	0.0018	0.1381	0.1432
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.7499	0.7293
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0014	0.0759	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.1381	0.1436
Echinococcus granulosus	dna polymerase kappa	0.0014	0.0759	0.0831
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0039	0.5088	0.4684
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0018	0.1381	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0039	0.5088	0.6669
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.5088	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.1381	0.2148
Leishmania major	cathepsin L-like protease	0.0018	0.1381	0.0673
Leishmania major	cathepsin L-like protease	0.0068	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.1381	0.2148
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0759	0.0759
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.1381	0.2148
Brugia malayi	ImpB/MucB/SamB family protein	0.0014	0.0759	0.0554
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.7446	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.1203	0.1771
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.7446	1
Echinococcus multilocularis	cysteine protease	0.0018	0.1381	0.1436
Schistosoma mansoni	hypothetical protein	0.0017	0.1203	0.1771
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.1381	0.1432
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0014	0.0759	0.0831

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 973 nM	Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in CHO cells coexpressing Ga15 by radioligand filtration binding assay	ChEMBL.	22189138

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: CHEMBL1938971

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 1598554