TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 822.991 | Formula: C45H58N8O7
H donors: 7 H acceptors: 6 LogP: 4.83 Rotable bonds: 26
Rule of 5 violations (Lipinski): 3
SMILES: O=C(NC(C(=O)N)Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)CCCCNC(=O)Nc1ccccc1C
InChi: 1S/C45H58N8O7/c1-29-15-8-10-20-34(29)51-43(58)47-23-13-12-22-36(42(57)53-24-14-18-32(53)27-39(54)49-37(40(46)55)25-30-16-6-5-7-17-30)50-41(56)38(52-44(59)60-45(2,3)4)26-31-28-48-35-21-11-9-19-33(31)35/h5-11,15-17,19-21,28,32,36-38,48H,12-14,18,22-27H2,1-4H3,(H2,46,55)(H,49,54)(H,50,56)(H,52,59)(H2,47,51,58)/t32-,36-,37?,38?/m0/s1
InChiKey: KWFOXALTHATCKF-PKBTWFAQSA-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
Cavia porcellus	Cholecystokinin A receptor	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_132882	All targets in OG5_132882
Brugia malayi	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882
Brugia malayi	sulfakinin receptor protein	Get druggable targets OG5_132882	All targets in OG5_132882

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Cholecystokinin A receptor	430 aa	363 aa	24.5 %
Echinococcus granulosus	biogenic amine 5HT receptor	Cholecystokinin A receptor	430 aa	428 aa	23.6 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Cholecystokinin A receptor	430 aa	381 aa	21.5 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Cholecystokinin A receptor	430 aa	363 aa	19.3 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Cholecystokinin A receptor	430 aa	395 aa	24.8 %
Echinococcus multilocularis	serotonin receptor	Cholecystokinin A receptor	430 aa	427 aa	23.7 %
Echinococcus multilocularis	orexin receptor type 2	Cholecystokinin A receptor	430 aa	381 aa	23.6 %
Onchocerca volvulus	Forkhead box protein biniou homolog	Cholecystokinin A receptor	430 aa	353 aa	22.1 %
Echinococcus granulosus	g protein coupled receptor	Cholecystokinin A receptor	430 aa	415 aa	23.1 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Cholecystokinin A receptor	430 aa	383 aa	22.7 %
Echinococcus granulosus	orexin receptor type 2	Cholecystokinin A receptor	430 aa	383 aa	23.2 %
Echinococcus granulosus	dro:myosuppressin receptor	Cholecystokinin A receptor	430 aa	369 aa	23.0 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Cholecystokinin A receptor	430 aa	375 aa	26.4 %
Schistosoma mansoni	amine GPCR	Cholecystokinin A receptor	430 aa	409 aa	24.7 %
Echinococcus multilocularis	g protein coupled receptor	Cholecystokinin A receptor	430 aa	414 aa	23.4 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Cholecystokinin A receptor	430 aa	356 aa	27.5 %
Onchocerca volvulus		Cholecystokinin A receptor	430 aa	410 aa	25.4 %
Echinococcus granulosus	g protein coupled receptor	Cholecystokinin A receptor	430 aa	398 aa	23.9 %
Echinococcus multilocularis	neuropeptides capa receptor	Cholecystokinin A receptor	430 aa	414 aa	19.8 %
Schistosoma mansoni	rhodopsin-like orphan GPCR	Cholecystokinin A receptor	430 aa	378 aa	23.8 %
Schistosoma japonicum	FMRFamide receptor, putative	Cholecystokinin A receptor	430 aa	364 aa	22.8 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Cholecystokinin A receptor	430 aa	373 aa	27.3 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Cholecystokinin A receptor	430 aa	373 aa	28.4 %
Onchocerca volvulus		Cholecystokinin A receptor	430 aa	397 aa	29.0 %
Echinococcus multilocularis	dro:myosuppressin receptor	Cholecystokinin A receptor	430 aa	369 aa	23.0 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Cholecystokinin A receptor	430 aa	382 aa	25.1 %
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	Cholecystokinin A receptor	430 aa	384 aa	21.4 %
Echinococcus multilocularis	g protein coupled receptor	Cholecystokinin A receptor	430 aa	405 aa	24.2 %
Onchocerca volvulus		Cholecystokinin A receptor	430 aa	377 aa	22.3 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Cholecystokinin A receptor	430 aa	402 aa	26.1 %
Echinococcus granulosus	rhodopsin orphan GPCR	Cholecystokinin A receptor	430 aa	363 aa	19.6 %
Onchocerca volvulus	Phospholipase d-related homolog	Cholecystokinin A receptor	430 aa	359 aa	20.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0262	0.4877	0.4877
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.003	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.003	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0012	0.0012
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.003	0.0001	0.5
Schistosoma mansoni	tyrosine kinase	0.031	0.5898	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0045	0.0314	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0314	0.0314
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0045	0.0314	0.053
Schistosoma mansoni	retinoic acid receptor RXR	0.0045	0.0314	0.053
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.003	0.0001	0.5
Schistosoma mansoni	hypothetical protein	0.0169	0.2916	0.4944
Echinococcus granulosus	epidermal growth factor receptor	0.0142	0.2355	0.3992
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0045	0.0314	0.0313
Mycobacterium leprae	putative cytochrome p450	0.003	0.0001	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0045	0.0314	0.0313
Brugia malayi	Protein kinase domain containing protein	0.0281	0.5289	0.5289
Schistosoma mansoni	tyrosine kinase	0.0142	0.2355	0.3992
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.003	0.0001	0.5
Loa Loa (eye worm)	CYP4Cod1	0.003	0.0001	0.0001
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.003	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.003	0.0001	0.5
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0142	0.2355	0.3992
Onchocerca volvulus		0.0033	0.0072	0.1982
Brugia malayi	steroid hormone receptor	0.0045	0.0314	0.0313
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0045	0.0314	0.053
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0012	0.0012
Echinococcus multilocularis	lamin dm0	0.003	0.0012	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0314	0.0314
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0045	0.0314	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0314	0.0314
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0045	0.0314	0.0313
Echinococcus multilocularis	epidermal growth factor receptor	0.0142	0.2355	0.3992
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.003	0.0001	0.5
Leishmania major	cytochrome p450-like protein	0.003	0.0001	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.003	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.003	0.0001	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0045	0.0314	1
Brugia malayi	sulfakinin receptor protein	0.0262	0.4877	0.4877
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0142	0.2355	0.2355
Echinococcus multilocularis	lamin	0.003	0.0012	0.0018
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0012	0.0011
Schistosoma mansoni	thyroid hormone receptor	0.0187	0.3297	0.5591
Echinococcus granulosus	epidermal growth factor receptor	0.0142	0.2355	0.3992
Schistosoma mansoni	tyrosine kinase	0.031	0.5898	1
Echinococcus multilocularis		0.004	0.0222	0.0374
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0045	0.0314	0.0313
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0045	0.0314	0.053
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0314	0.0314
Echinococcus multilocularis	ecdysone induced protein 78C	0.0045	0.0314	0.053
Schistosoma mansoni	lamin	0.003	0.0012	0.0018
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.0001	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0045	0.0314	0.053
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.003	0.0001	0.5
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.031	0.5898	1
Loa Loa (eye worm)	cytochrome P450	0.003	0.0001	0.0001
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.003	0.0001	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0045	0.0314	0.053
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.003	0.0001	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0045	0.0314	0.053
Toxoplasma gondii	cytochrome p450 superfamily protein	0.003	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.003	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.003	0.0001	0.5
Schistosoma mansoni	lamin	0.003	0.0012	0.0018
Schistosoma mansoni	thyroid hormone receptor	0.0187	0.3297	0.5591
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0072	0.0072
Brugia malayi	intermediate filament protein	0.003	0.0012	0.0011
Echinococcus multilocularis	epidermal growth factor receptor	0.0142	0.2355	0.3992
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0045	0.0314	0.0313
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0045	0.0314	0.0314
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.003	0.0001	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0045	0.0314	0.053
Schistosoma mansoni	hypothetical protein	0.0142	0.2356	0.3995
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.003	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.003	0.0001	0.5
Leishmania major	cytochrome p450-like protein	0.003	0.0001	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.0001	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0045	0.0314	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0045	0.0314	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0314	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0072	0.0072
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.003	0.0001	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0001	0.0001
Schistosoma mansoni	hypothetical protein	0.0033	0.0072	0.012
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0045	0.0314	0.0313
Echinococcus granulosus	MAM	0.0033	0.0072	0.012
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.003	0.0001	0.5
Schistosoma mansoni	tyrosine kinase	0.0138	0.2276	0.3859
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.003	0.0001	0.5
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0142	0.2356	0.3995
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.003	0.0001	0.5
Echinococcus granulosus	intermediate filament protein	0.003	0.0012	0.0018
Echinococcus granulosus	geminin	0.0169	0.2916	0.4944
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.003	0.0001	0.5
Onchocerca volvulus		0.0033	0.0072	0.1982
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0505	1	1
Brugia malayi	Protein kinase domain containing protein	0.0172	0.2994	0.2993
Schistosoma mansoni	tyrosine kinase	0.0142	0.2355	0.3992
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.003	0.0001	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0045	0.0314	0.0313
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0045	0.0314	0.0314
Brugia malayi	hypothetical protein	0.0033	0.0072	0.0071
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.003	0.0001	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.003	0.0001	0.5
Echinococcus multilocularis	MAM	0.0033	0.0072	0.012
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0045	0.0314	0.053
Brugia malayi	Protein kinase domain containing protein	0.031	0.5898	0.5897
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.003	0.0001	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0045	0.0314	0.053
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0045	0.0314	0.0313
Mycobacterium leprae	Conserved hypothetical protein	0.003	0.0001	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0045	0.0314	0.053
Echinococcus multilocularis	insulin receptor	0.031	0.5898	1
Schistosoma mansoni	hypothetical protein	0.0169	0.2916	0.4944
Schistosoma mansoni	intermediate filament proteins	0.003	0.0012	0.0018
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0187	0.3297	0.5591
Brugia malayi	ecdysteroid receptor	0.0045	0.0314	0.0313
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0045	0.0314	0.0313
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0045	0.0314	0.053
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.003	0.0001	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0045	0.0314	0.053
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.003	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.003	0.0001	0.5
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.003	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0244	0.4509	0.4509
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0045	0.0314	0.0314
Echinococcus multilocularis	musashi	0.003	0.0012	0.0018
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0045	0.0314	0.053
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.003	0.0001	0.5
Schistosoma mansoni	hypothetical protein	0.0033	0.0072	0.012
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0045	0.0314	0.053
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0001	0.0001
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0142	0.2356	0.3995
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2915	0.2915
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0045	0.0314	0.0314
Schistosoma mansoni	tyrosine kinase	0.0138	0.2276	0.3859
Onchocerca volvulus	Protein ultraspiracle homolog	0.0045	0.0314	1
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.003	0.0001	0.5
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.031	0.5898	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0314	0.0314
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0045	0.0314	0.053
Leishmania major	cytochrome p450-like protein	0.003	0.0001	0.5
Echinococcus multilocularis	geminin	0.0169	0.2916	0.4944
Brugia malayi	Steroid receptor seven-up type 2	0.0045	0.0314	0.0313
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.003	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0262	0.4877	0.4877
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.003	0.0001	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0045	0.0314	0.053
Loa Loa (eye worm)	TK/INSR protein kinase	0.031	0.5898	0.5898
Loa Loa (eye worm)	TK/ALK protein kinase	0.0281	0.5287	0.5287
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0045	0.0314	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0314	0.0314
Brugia malayi	nuclear hormone receptor	0.0045	0.0314	0.0313
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0045	0.0314	0.053
Echinococcus granulosus	FTZ F1 alpha	0.0045	0.0314	0.053
Echinococcus multilocularis	FTZ F1 alpha	0.0045	0.0314	0.053
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0045	0.0314	0.053
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0045	0.0314	0.053
Onchocerca volvulus		0.0045	0.0314	1
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.003	0.0001	0.5
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.003	0.0001	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.003	0.0001	0.5
Echinococcus granulosus	insulin receptor	0.031	0.5898	1
Brugia malayi	nuclear receptor NHR-88	0.0045	0.0314	0.0313
Brugia malayi	Furin-like cysteine rich region family protein	0.0142	0.2355	0.2354
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.003	0.0001	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.003	0.0001	0.5
Trypanosoma brucei	cytochrome P450, putative	0.003	0.0001	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0045	0.0314	0.053
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0072	0.0072
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0001	0.0001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0045	0.0314	0.0314
Echinococcus granulosus	lamin	0.003	0.0012	0.0018
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0045	0.0314	0.0313
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.003	0.0001	0.5
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0012	0.0012
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0045	0.0314	0.0314
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.003	0.0001	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.003	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0314	0.0314
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0045	0.0314	0.053
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.003	0.0001	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0045	0.0314	0.053
Brugia malayi	photoreceptor-specific nuclear receptor	0.0045	0.0314	0.0313
Schistosoma mansoni	coup transcription factor	0.0045	0.0314	0.053
Echinococcus granulosus	lamin dm0	0.003	0.0012	0.0018
Loa Loa (eye worm)	steroid hormone receptor	0.0045	0.0314	0.0314
Schistosoma mansoni	tyrosine kinase	0.0138	0.2276	0.3859
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.003	0.0001	0.5
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.003	0.0001	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0045	0.0314	0.0313
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0045	0.0314	0.053
Schistosoma mansoni	tyrosine kinase	0.0142	0.2355	0.3992

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 239 nM	Concentration that inhibited 50% of specific binding of [125I]-Bolton-Hunter CCK-8 binding in guinea pig pancreas	ChEMBL.	8201590
IC50 (binding)	= 239 nM	Concentration that inhibited 50% of specific binding of [125I]-Bolton-Hunter CCK-8 binding in guinea pig pancreas	ChEMBL.	8201590
PI hydrolysis (binding)	= 68 %	Percent response in PI hydrolysis relative to maximal response elicited by CCK-8 in guinea pig at 10e-6 M	ChEMBL.	8201590
PI hydrolysis (binding)	= 68 %	Percent response in PI hydrolysis relative to maximal response elicited by CCK-8 in guinea pig at 10e-6 M	ChEMBL.	8201590

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: CHEMBL430937

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 57065