TDR Targets

Basic information

Technical information

TDR Targets ID: 328950
Name: N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2, 4,6-trimethylphenyl)imidazo[1,2-a]benzimidazo le-1-carboxamide
MW: 428.569 | Formula: C27H32N4O
H donors: 0 H acceptors: 2 LogP: 6.93 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCN(C(=O)c1c(C)nc2n1c1ccccc1n2c1c(C)cc(cc1C)C)CC1CC1
InChi: 1S/C27H32N4O/c1-6-13-29(16-21-11-12-21)26(32)25-20(5)28-27-30(22-9-7-8-10-23(22)31(25)27)24-18(3)14-17(2)15-19(24)4/h7-10,14-15,21H,6,11-13,16H2,1-5H3
InChiKey: LEFBXJJDOJQUSV-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-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)-1-imidazo[1,2-a]benzimidazolecarboxamide
N-(cyclopropylmethyl)-4-mesityl-2-methyl-N-propyl-imidazo[1,2-a]benzimidazole-1-carboxamide
N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)imidazo[3,2-a]benzimidazole-1-carboxamide
N-(cyclopropylmethyl)-2-methyl-N-propyl-4-(2,4,6-trimethylphenyl)-1-imidazo[3,2-a]benzimidazolecarboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	corticotropin releasing hormone receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130760	All targets in OG5_130760
Schistosoma japonicum	IPR001879,Hormone receptor, extracellular,domain-containing	Get druggable targets OG5_130760	All targets in OG5_130760
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	Get druggable targets OG5_130760	All targets in OG5_130760
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	Get druggable targets OG5_130760	All targets in OG5_130760

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	corticotropin releasing hormone receptor 1	444 aa	445 aa	25.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Steroid receptor seven-up type 2	0.1415	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0667	0.4551	0.43
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0133	0.1138
Echinococcus multilocularis	nuclear receptor nhr 48	0.0667	0.4551	0.43
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0667	0.4551	0.43
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.1415	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.1415	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.1415	1	1
Schistosoma mansoni	nuclear receptor	0.0667	0.4551	0.43
Echinococcus granulosus	ecdysone induced protein 78C	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.1415	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0667	0.4551	0.43
Brugia malayi	photoreceptor-specific nuclear receptor	0.1415	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0667	0.4551	0.43
Loa Loa (eye worm)	hypothetical protein	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0138	0.1267
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0104	0.0442	0.5
Schistosoma mansoni	nuclear receptor	0.0667	0.4551	0.43
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.1415	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0667	0.4551	0.4482
Schistosoma mansoni	nuclear hormone receptor	0.0667	0.4551	0.43
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0104	0.0442	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0104	0.0442	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.0747	0.5135	0.5073
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Brugia malayi	tailless protein	0.0667	0.4551	0.4482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0082	0.0287	0.556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0248	0.444
Onchocerca volvulus	Protein ultraspiracle homolog	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.0747	0.5135	0.5073
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0204	0.1175	0.0767
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.1415	1	1
Brugia malayi	nuclear receptor RXR	0.0667	0.4551	0.4482
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0248	0.444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0138	0.1267
Brugia malayi	hypothetical protein	0.0747	0.5135	0.5073
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.1415	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1415	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.1415	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.1415	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0667	0.4551	0.43
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.0747	0.5135	0.5073
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0667	0.4551	0.43
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0094	0.0018
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0104	0.0442	1
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Brugia malayi	nuclear receptor NHR-88	0.1415	1	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0049	0.0043	0.0985
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.1415	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.1415	1	1
Brugia malayi	nuclear receptor NHR-67	0.0667	0.4551	0.4482
Loa Loa (eye worm)	DR-78	0.0667	0.4551	0.4482
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0667	0.4551	0.43
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0667	0.4551	0.4482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0082	0.0287	0.556
Brugia malayi	hypothetical protein	0.0667	0.4551	0.4482
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0667	0.4551	0.43
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0747	0.5135	0.491
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0104	0.0442	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0082	0.0287	0.556
Echinococcus multilocularis	thyroid hormone receptor alpha	0.1415	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0067	0.0177	0.2387
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0082	0.0287	0.556
Brugia malayi	hypothetical protein	0.0747	0.5135	0.5073
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1415	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.1415	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0667	0.4551	0.4482
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.1415	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0747	0.5135	0.5073
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1415	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.1415	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0204	0.1175	0.0767
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0248	0.444
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.1415	1	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0104	0.0442	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0248	0.444
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1475	0.1367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0094	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Loa Loa (eye worm)	hypothetical protein	0.1415	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0104	0.0442	0.032
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0133	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Brugia malayi	nuclear hormone receptor	0.0667	0.4551	0.4482
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.1415	1	1
Schistosoma mansoni	nuclear hormone receptor	0.1415	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0667	0.4551	0.4482
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0667	0.4551	0.43
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1415	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.1415	1	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0077	0.0248	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1415	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.1415	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.1415	1	1
Brugia malayi	conserved hypotetical protein	0.0667	0.4551	0.4482
Schistosoma mansoni	zinc finger protein	0.0667	0.4551	0.43
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0082	0.0287	0.556
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0104	0.0442	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.1415	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.1415	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0667	0.4551	0.43
Echinococcus granulosus	FTZ F1 alpha	0.1415	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0747	0.5135	0.5073
Brugia malayi	Nuclear hormone receptor E75	0.0667	0.4551	0.4482
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0747	0.5135	0.491
Brugia malayi	hypothetical protein	0.0667	0.4551	0.4482
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0104	0.0442	1
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0667	0.4551	0.43
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0667	0.4551	0.4482
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0104	0.0442	1
Schistosoma mansoni	nuclear hormone receptor	0.0667	0.4551	0.43
Schistosoma mansoni	coup transcription factor	0.1415	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.1415	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1415	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0104	0.0442	1
Brugia malayi	nuclear receptor NHR-88	0.0667	0.4551	0.4482
Loa Loa (eye worm)	nuclear hormone receptor	0.0667	0.4551	0.4482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0248	0.444
Loa Loa (eye worm)	hypothetical protein	0.1415	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.1415	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0248	0.444
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0747	0.5135	0.491
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0245	0.1475	0.1367
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0069	0.0193	0.2856
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0138	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Schistosoma mansoni	retinoic acid receptor RXR	0.1415	1	1
Giardia lamblia	GTOR	0.0104	0.0442	0.5
Schistosoma mansoni	thyroid hormone receptor	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0094	0.0018
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0747	0.5135	0.491
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.0747	0.5135	0.5073
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.1415	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1415	1	1
Loa Loa (eye worm)	hypothetical protein	0.0747	0.5135	0.5073
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.1415	1	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0082	0.0288	0.6514
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0094	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1415	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0667	0.4551	0.4482
Brugia malayi	Nuclear hormone receptor-like 1	0.0747	0.5135	0.5073
Brugia malayi	nuclear receptor RXR	0.0747	0.5135	0.5073
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.1415	1	1
Brugia malayi	steroid hormone receptor	0.1415	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.1415	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0104	0.0442	0.032
Schistosoma mansoni	thyroid hormone receptor	0.1415	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.1415	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0104	0.0442	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.1415	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0088	0.0331	0.6827
Brugia malayi	orphan nuclear receptor NR2E1	0.0667	0.4551	0.4482
Brugia malayi	nuclear hormone receptor	0.1415	1	1
Brugia malayi	ecdysone receptor	0.0667	0.4551	0.4482
Onchocerca volvulus		0.1415	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0667	0.4551	0.43
Loa Loa (eye worm)	hypothetical protein	0.1415	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0667	0.4551	0.43
Schistosoma mansoni	nuclear receptor nhr-48	0.0667	0.4551	0.43
Loa Loa (eye worm)	hypothetical protein	0.0667	0.4551	0.4482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0248	0.444

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 360 nM	Binding affinity for human corticotropin releasing factor receptor 1	ChEMBL.	15982881
Ki (binding)	= 360 nM	Binding affinity for human corticotropin releasing factor receptor 1	ChEMBL.	15982881

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

PubChem: 20780124

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 328950