TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 447.569 | Formula: C27H33N3O3
H donors: 3 H acceptors: 4 LogP: 4.11 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)[C@@H](C[C@@H]([C@@H](NC(=O)c1cncc2c1cccc2)Cc1ccccc1)O)CC(C)C
InChi: 1S/C27H33N3O3/c1-18(2)13-21(26(32)28-3)15-25(31)24(14-19-9-5-4-6-10-19)30-27(33)23-17-29-16-20-11-7-8-12-22(20)23/h4-12,16-18,21,24-25,31H,13-15H2,1-3H3,(H,28,32)(H,30,33)/t21-,24+,25+/m1/s1
InChiKey: UXSUYSVWJGSWPS-ZODMCCGTSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	chemokine (C-C motif) receptor 1	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	chemokine (C-C motif) receptor 1	355 aa	289 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Phospholipase A2 homolog	0.0511	0.6131	1
Echinococcus multilocularis	neuropeptide receptor	0.021	0.2201	0.2201
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Trypanosoma cruzi	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0069	0.0351	0.1228
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0261	0.2861	0.2861
Echinococcus granulosus	hypothetical protein	0.021	0.2201	0.2201
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0198	0.2035	0.2035
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.021	0.2201	0.2201
Brugia malayi	GnHR receptor homolog	0.021	0.2201	0.7694
Schistosoma mansoni	biogenic amine (5HT) receptor	0.021	0.2201	0.2201
Schistosoma mansoni	hypothetical protein	0.0198	0.204	0.204
Echinococcus granulosus	somatostatin receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.021	0.2201	0.2201
Brugia malayi	neuropeptide F receptor	0.021	0.2201	0.7694
Schistosoma mansoni	neuropeptide F-like receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Schistosoma mansoni	microtubule-associated protein tau	0.0806	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.021	0.2201	0.359
Onchocerca volvulus		0.021	0.2201	0.359
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.021	0.2201	0.2201
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.021	0.2201	0.2201
Loa Loa (eye worm)	G-protein coupled receptor	0.021	0.2201	0.359
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.021	0.2201	0.2201
Onchocerca volvulus	Phospholipase A2 homolog	0.0108	0.0856	0.1397
Onchocerca volvulus		0.021	0.2201	0.359
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0261	0.2861	1
Onchocerca volvulus		0.021	0.2201	0.359
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Loa Loa (eye worm)	TYRA-2 protein	0.021	0.2201	0.359
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0261	0.2861	0.2861
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0069	0.0351	0.1228
Echinococcus multilocularis	g-protein coupled receptor	0.021	0.2201	0.2201
Echinococcus granulosus	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.021	0.2201	0.2201
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Schistosoma mansoni	adenoreceptor	0.021	0.2201	0.2201
Trypanosoma brucei	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0069	0.0351	0.1228
Brugia malayi	larval opioid receptor	0.021	0.2201	0.7694
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.021	0.2201	0.359
Echinococcus multilocularis	neuropeptide s receptor	0.0748	0.9235	0.9235
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Schistosoma mansoni	amine GPCR	0.021	0.2201	0.2201
Schistosoma mansoni	hypothetical protein	0.021	0.2201	0.2201
Schistosoma mansoni	hypothetical protein	0.021	0.2201	0.2201
Echinococcus granulosus	G protein coupled receptor 139	0.021	0.2201	0.2201
Echinococcus multilocularis	neuropeptide Y receptor	0.021	0.2201	0.2201
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Mycobacterium ulcerans	hypothetical protein	0.0042	0	0.5
Brugia malayi	Dopamine receptor protein 1	0.021	0.2201	0.7694
Schistosoma mansoni	hypothetical protein	0.0198	0.204	0.204
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Brugia malayi	Dopamine receptor	0.021	0.2201	0.7694
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.021	0.2201	0.7694
Echinococcus multilocularis	orexin receptor type 2	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Onchocerca volvulus		0.021	0.2201	0.359
Onchocerca volvulus		0.021	0.2201	0.359
Echinococcus multilocularis	g protein coupled receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	melatonin receptor type 1A	0.021	0.2201	0.359
Echinococcus multilocularis	g protein coupled receptor	0.021	0.2201	0.2201
Brugia malayi	AKH receptor	0.021	0.2201	0.7694
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2556	0.4169
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.036	0.4156	0.6778
Echinococcus multilocularis	allatostatin A receptor	0.021	0.2201	0.2201
Echinococcus granulosus	dro:myosuppressin receptor	0.021	0.2201	0.2201
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0261	0.2861	1
Echinococcus multilocularis	neuropeptides capa receptor	0.021	0.2201	0.2201
Onchocerca volvulus		0.021	0.2201	0.359
Echinococcus granulosus	neuropeptides capa receptor	0.021	0.2201	0.2201
Echinococcus granulosus	neuropeptides capa receptor	0.021	0.2201	0.2201
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0212	0.0345
Loa Loa (eye worm)	neuropeptide F receptor	0.021	0.2201	0.359
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Echinococcus granulosus	neuropeptide FF receptor 2	0.021	0.2201	0.2201
Echinococcus granulosus	fmrfamide receptor	0.021	0.2201	0.2201
Echinococcus multilocularis	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Onchocerca volvulus		0.021	0.2201	0.359
Schistosoma mansoni	biogenic amine receptor	0.021	0.2201	0.2201
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.021	0.2201	0.2201
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.021	0.2201	0.2201
Echinococcus multilocularis	microtubule associated protein 2	0.0806	1	1
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Brugia malayi	putative neuropeptide receptor NPR1	0.021	0.2201	0.7694
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.021	0.2201	0.2201
Schistosoma mansoni	neuropeptide receptor	0.021	0.2201	0.2201
Brugia malayi	G protein-coupled receptor	0.021	0.2201	0.7694
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.0511	0.6131	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.021	0.2201	0.359
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0261	0.2861	1
Echinococcus granulosus	Peptidase C54	0.0069	0.0351	0.0351
Brugia malayi	Melatonin receptor type 1A	0.021	0.2201	0.7694
Echinococcus multilocularis	serotonin receptor	0.021	0.2201	0.2201
Brugia malayi	Serotonin receptor	0.021	0.2201	0.7694
Echinococcus multilocularis	serotonin receptor	0.021	0.2201	0.2201
Schistosoma mansoni	histamine h1 receptor	0.021	0.2201	0.2201
Brugia malayi	Serotonin receptor	0.021	0.2201	0.7694
Echinococcus granulosus	g protein coupled receptor	0.021	0.2201	0.2201
Mycobacterium ulcerans	beta-lactamase	0.0042	0	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.021	0.2201	0.2201
Echinococcus granulosus	neuropeptide receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus multilocularis	somatostatin receptor	0.021	0.2201	0.2201
Echinococcus granulosus	alpha 1A adrenergic receptor	0.021	0.2201	0.2201
Brugia malayi	G protein-coupled receptor F59B2.13	0.021	0.2201	0.7694
Echinococcus granulosus	g protein coupled receptor	0.021	0.2201	0.2201
Brugia malayi	sulfakinin receptor protein	0.021	0.2201	0.7694
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Schistosoma mansoni	opsin-like receptor	0.021	0.2201	0.2201
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0261	0.2861	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Schistosoma mansoni	autophagin-1 (C54 family)	0.0069	0.0351	0.0351
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.021	0.2201	0.2201
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.021	0.2201	0.7694
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.021	0.2201	0.2201
Echinococcus granulosus	peptide allatostatin:somatostatin	0.021	0.2201	0.2201
Schistosoma mansoni	alpha-1 adrenergic receptor	0.021	0.2201	0.2201
Echinococcus granulosus	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.021	0.2201	0.2201
Echinococcus granulosus	tm gpcr rhodopsin	0.021	0.2201	0.2201
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.021	0.2201	0.2201
Onchocerca volvulus		0.021	0.2201	0.359
Echinococcus granulosus	geminin	0.0198	0.204	0.204
Schistosoma mansoni	neuropeptide receptor	0.021	0.2201	0.2201
Echinococcus granulosus	biogenic amine 5HT receptor	0.021	0.2201	0.2201
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Brugia malayi	Phospholipase A2 family protein	0.0108	0.0856	0.2993
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Schistosoma mansoni	hypothetical protein	0.021	0.2201	0.2201
Schistosoma mansoni	biogenic amine receptor	0.021	0.2201	0.2201
Onchocerca volvulus		0.021	0.2201	0.359
Echinococcus multilocularis	fmrfamide receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0261	0.2861	0.4666
Onchocerca volvulus		0.021	0.2201	0.359
Loa Loa (eye worm)	neuropeptide F receptor	0.021	0.2201	0.359
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0261	0.2861	0.4666
Schistosoma mansoni	hypothetical protein	0.036	0.4156	0.4156
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus multilocularis	neuropeptide FF receptor 2	0.021	0.2201	0.2201
Brugia malayi	putative neuropeptide receptor	0.021	0.2201	0.7694
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.021	0.2201	0.2201
Schistosoma mansoni	neuropeptide f receptor 76f	0.021	0.2201	0.2201
Schistosoma mansoni	growth hormone secretagogue receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Brugia malayi	RNA, U transporter 1	0.0096	0.0703	0.2458
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0856	0.1397
Echinococcus granulosus	tachykinin peptides receptor 99D	0.021	0.2201	0.2201
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0069	0.0351	0.1228
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.021	0.2201	0.7694
Mycobacterium ulcerans	lipase LipD	0.0042	0	0.5
Onchocerca volvulus		0.021	0.2201	0.359
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0069	0.0351	0.1228
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Onchocerca volvulus		0.021	0.2201	0.359
Echinococcus granulosus	neuropeptide receptor	0.021	0.2201	0.2201
Schistosoma mansoni	amine GPCR	0.021	0.2201	0.2201
Echinococcus granulosus	tm gpcr rhodopsin	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus multilocularis	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus granulosus	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Echinococcus multilocularis	snurportin 1	0.036	0.4156	0.4156
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.021	0.2201	0.2201
Schistosoma mansoni	biogenic amine (5HT) receptor	0.021	0.2201	0.2201
Schistosoma mansoni	amine GPCR	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Brugia malayi	Peptidase family C54 containing protein	0.0069	0.0351	0.1228
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.021	0.2201	0.359
Brugia malayi	neuropeptide F receptor	0.021	0.2201	0.7694
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus multilocularis	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0261	0.2861	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.021	0.2201	0.2201
Echinococcus multilocularis	fmrfamide receptor	0.021	0.2201	0.2201
Echinococcus granulosus	cysteine protease atg4b	0.0069	0.0351	0.0351
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0	0.5
Onchocerca volvulus		0.021	0.2201	0.359
Echinococcus granulosus	orexin receptor type 2	0.021	0.2201	0.2201
Echinococcus granulosus	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Schistosoma mansoni	neuropeptide F-like receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Schistosoma mansoni	biogenic amine receptor	0.021	0.2201	0.2201
Echinococcus multilocularis	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Echinococcus granulosus	sex peptide receptor	0.021	0.2201	0.2201
Echinococcus granulosus	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Brugia malayi	RE15519p	0.021	0.2201	0.7694
Schistosoma mansoni	amine GPCR	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0351	0.0573
Schistosoma mansoni	neuropeptide receptor	0.021	0.2201	0.2201
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0069	0.0351	0.1228
Echinococcus granulosus	serotonin receptor	0.021	0.2201	0.2201
Echinococcus granulosus	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.021	0.2201	0.2201
Brugia malayi	ORL1-like opioid receptor	0.021	0.2201	0.7694
Echinococcus multilocularis	cysteine protease atg4b	0.0069	0.0351	0.0351
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0269	0.2966	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.021	0.2201	0.2201
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.021	0.2201	0.2201
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.021	0.2201	0.2201
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.021	0.2201	0.2201
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0237	0.2556	0.8936
Echinococcus granulosus	biogenic amine 5HT receptor	0.021	0.2201	0.2201
Onchocerca volvulus		0.021	0.2201	0.359
Schistosoma mansoni	opsin-like receptor	0.021	0.2201	0.2201
Schistosoma mansoni	myosin xvIII	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus granulosus	neuropeptide s receptor	0.0748	0.9235	0.9235
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.021	0.2201	0.2201
Echinococcus multilocularis	neuropeptide Y receptor	0.021	0.2201	0.2201
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.021	0.2201	0.2201
Mycobacterium leprae	Probable lipase LipE	0.0042	0	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.021	0.2201	0.2201
Brugia malayi	follicle stimulating hormone receptor	0.021	0.2201	0.7694
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0261	0.2861	1
Echinococcus multilocularis	geminin	0.0198	0.204	0.204
Echinococcus multilocularis	neuropeptides capa receptor	0.021	0.2201	0.2201
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.021	0.2201	0.2201
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.021	0.2201	0.2201
Mycobacterium leprae	conserved hypothetical protein	0.0042	0	0.5
Schistosoma mansoni	neuropeptide receptor	0.021	0.2201	0.2201
Echinococcus multilocularis	sex peptide receptor	0.021	0.2201	0.2201
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus multilocularis	G-protein coupled receptor, putative	0.021	0.2201	0.2201
Echinococcus granulosus	neuropeptide Y receptor	0.021	0.2201	0.2201
Echinococcus multilocularis	g protein coupled receptor	0.021	0.2201	0.2201
Echinococcus granulosus	g-protein coupled receptor	0.021	0.2201	0.2201
Onchocerca volvulus		0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus granulosus	snurportin 1	0.036	0.4156	0.4156
Echinococcus multilocularis	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.021	0.2201	0.2201
Echinococcus granulosus	neuropeptide receptor A26	0.0748	0.9235	0.9235
Brugia malayi	Tachykinin-like peptides receptor 99D	0.021	0.2201	0.7694
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Echinococcus multilocularis	neuropeptide receptor A26	0.0748	0.9235	0.9235
Echinococcus multilocularis	Peptidase C54	0.0069	0.0351	0.0351
Schistosoma mansoni	family C54 unassigned peptidase (C54 family)	0.0069	0.0351	0.0351
Echinococcus granulosus	allatostatin A receptor	0.021	0.2201	0.2201
Echinococcus multilocularis	neuropeptide receptor	0.021	0.2201	0.2201
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.021	0.2201	0.2201
Leishmania major	AUT2/APG4/ATG4 cysteine peptidase, putative	0.0069	0.0351	0.1228
Schistosoma mansoni	family C54 unassigned peptidase (C54 family)	0.0069	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0261	0.2861	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Trichomonas vaginalis	Clan CA, family C54, ATG4-like cysteine peptidase	0.0069	0.0351	0.1228
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.021	0.2201	0.2201
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0261	0.2861	0.2861
Brugia malayi	G-protein coupled receptor	0.021	0.2201	0.7694
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0261	0.2861	1
Onchocerca volvulus		0.021	0.2201	0.359
Schistosoma mansoni	amine GPCR	0.021	0.2201	0.2201
Onchocerca volvulus		0.021	0.2201	0.359
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.021	0.2201	0.7694
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.021	0.2201	0.2201
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0198	0.2035	0.2035
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0261	0.2861	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.021	0.2201	0.2201
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.021	0.2201	0.2201
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0261	0.2861	1
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus multilocularis	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.021	0.2201	0.359
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus granulosus	rhodopsin orphan GPCR	0.021	0.2201	0.2201
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0261	0.2861	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.021	0.2201	0.2201
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.021	0.2201	0.7694
Echinococcus granulosus	tm gpcr rhodopsin	0.021	0.2201	0.2201
Brugia malayi	Dopamine receptor protein 2	0.021	0.2201	0.7694
Echinococcus granulosus	7tm_1 domain containing protein	0.021	0.2201	0.2201
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.021	0.2201	0.2201
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.021	0.2201	0.2201
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Brugia malayi	hypothetical protein	0.021	0.2201	0.7694
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Brugia malayi	G-protein coupled receptor	0.021	0.2201	0.7694
Schistosoma mansoni	hypothetical protein	0.021	0.2201	0.2201
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.021	0.2201	0.359
Echinococcus multilocularis	G protein coupled receptor 139	0.021	0.2201	0.2201
Echinococcus granulosus	g protein coupled receptor	0.021	0.2201	0.2201
Schistosoma mansoni	opsin-like receptor	0.021	0.2201	0.2201
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.021	0.2201	0.2201
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.021	0.2201	0.2201
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0261	0.2861	1
Echinococcus granulosus	neuropeptide Y receptor	0.021	0.2201	0.2201
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0212	0.074
Loa Loa (eye worm)	hypothetical protein	0.021	0.2201	0.359

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.15 uM	Inhibition of CCL3 binding to C-C chemokine receptor type 1	ChEMBL.	15081002
IC50 (binding)	= 5.15 uM	Inhibition of CCL3 binding to C-C chemokine receptor type 1	ChEMBL.	15081002
IC50 (functional)	= 6.6 uM	Inhibition of CCL3 induced chemotaxis in THP-1 cells	ChEMBL.	15081002
IC50 (functional)	= 6.6 uM	Inhibition of CCL3 induced chemotaxis in THP-1 cells	ChEMBL.	15081002

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15081002

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: CHEMBL69285

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 111829