TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 598.649 | Formula: C32H34N6O6
H donors: 5 H acceptors: 6 LogP: 3.99 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(OC)cc(c1)C(c1ccccc1)CNc1nc(Nc2ccccc2)nc2c1ncn2C1O[C@@H]([C@H]([C@H]1O)O)CO
InChi: 1S/C32H34N6O6/c1-42-22-13-20(14-23(15-22)43-2)24(19-9-5-3-6-10-19)16-33-29-26-30(37-32(36-29)35-21-11-7-4-8-12-21)38(18-34-26)31-28(41)27(40)25(17-39)44-31/h3-15,18,24-25,27-28,31,39-41H,16-17H2,1-2H3,(H2,33,35,36,37)/t24?,25-,27-,28-,31?/m1/s1
InChiKey: BPNMKPHMQGZYIM-WRCJCCOTSA-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
Rattus norvegicus	Adenosine A1 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adenosine A2 receptor	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
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	274 aa	22.6 %
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.9 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2 receptor	410 aa	366 aa	25.4 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	356 aa	23.9 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	315 aa	21.6 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	304 aa	21.1 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	23.1 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2 receptor	410 aa	399 aa	28.1 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Adenosine A1 receptor	326 aa	295 aa	28.1 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	317 aa	24.6 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	286 aa	26.9 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	323 aa	20.7 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2 receptor	410 aa	340 aa	27.9 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	306 aa	21.2 %
Echinococcus granulosus	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Echinococcus multilocularis	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	311 aa	21.2 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	300 aa	24.3 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	327 aa	24.8 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	305 aa	21.0 %
Schistosoma mansoni	dro/myosuppressin receptor	Adenosine A1 receptor	326 aa	326 aa	22.1 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	22.7 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2 receptor	410 aa	346 aa	28.3 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	337 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cytochrome P450, putative	0.0259	0.5252	1
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0649	0.1116
Plasmodium falciparum	LCCL domain-containing protein	0.0038	0.034	1
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.015	0.2827	0.5332
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0091	0.1522	0.3102
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.015	0.2827	0.5332
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0138	0.2569	0.4825
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.015	0.2827	0.5332
Leishmania major	p450 reductase, putative	0.0026	0.0066	0.0126
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0237	0.476	0.4725
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0138	0.2569	0.5331
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.015	0.2827	0.5324
Loa Loa (eye worm)	hypothetical protein	0.0038	0.034	0.0276
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.015	0.2827	0.5891
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0237	0.476	0.9062
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0052	0.0649	0.1124
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0138	0.2569	0.5331
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.015	0.2827	0.5332
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0649	0.1116
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0052	0.0649	0.1236
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.015	0.2827	0.5332
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.015	0.2827	0.5332
Mycobacterium leprae	putative cytochrome p450	0.015	0.2827	1
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.015	0.2827	0.5332
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0026	0.0057	0.5
Leishmania major	cytochrome p450-like protein	0.015	0.2827	0.5383
Echinococcus granulosus	cytochrome P450 2K1	0.015	0.2827	0.5883
Echinococcus multilocularis		0.015	0.2827	0.5883
Loa Loa (eye worm)	cytochrome P450	0.015	0.2827	0.278
Echinococcus multilocularis	RUN	0.0038	0.034	0.0584
Plasmodium vivax	multidomain scavenger receptor, putative	0.0038	0.034	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0284	0.5816	0.5788
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.3638	0.6256
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0026	0.0066	0.0018
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0052	0.0649	0.2137
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0138	0.2569	0.2519
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0052	0.0649	0.1124
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0237	0.476	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0196	0.3862	0.6641
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0026	0.0057	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.015	0.2827	0.5891
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.015	0.2827	0.5891
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.3638	0.6256
Loa Loa (eye worm)	hypothetical protein	0.0038	0.034	0.0276
Echinococcus granulosus	Polycystic kidney disease protein	0.0038	0.034	0.0584
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0284	0.5816	0.5788
Schistosoma mansoni	rab6-interacting	0.0038	0.034	0.0584
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.015	0.2827	0.5891
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.015	0.2827	0.5891
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.5816	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0138	0.2569	0.4834
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.015	0.2827	0.5891
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0237	0.476	1
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.015	0.2827	0.5332
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.5816	1
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.0649	0.1242
Onchocerca volvulus	Glucosylceramidase homolog	0.0186	0.3638	1
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.015	0.2827	0.5332
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0237	0.476	0.9052
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.015	0.2827	0.5891
Leishmania major	phosphopantetheinyl transferase-like protein	0.0026	0.0057	0.0109
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0052	0.0649	0.0587
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0217	0.4316	0.4279
Brugia malayi	Doublecortin family protein	0.0038	0.034	0.0276
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.3638	0.6256
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0026	0.0066	0.0018
Onchocerca volvulus		0.0091	0.1522	0.3584
Trypanosoma cruzi	cytochrome P450, putative	0.0259	0.5252	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.015	0.2827	0.5324
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.015	0.2827	0.5332
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0026	0.0057	0.5
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0026	0.0066	0.1946
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0649	0.1116
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.015	0.2827	0.5332
Leishmania major	cytochrome p450-like protein	0.0259	0.5252	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0138	0.2569	0.5331
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.015	0.2827	0.5891
Toxoplasma gondii	cytochrome p450 superfamily protein	0.015	0.2827	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0052	0.0649	0.1242
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0026	0.0066	0.0018
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.3638	0.6256
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0108	0.1882	0.3868
Giardia lamblia	Kinase, CMGC MAPK	0.0052	0.0649	1
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.015	0.2827	0.5332
Schistosoma mansoni	lipoxygenase	0.0108	0.1882	0.3868
Echinococcus granulosus	mitogen activated protein kinase 3	0.0052	0.0649	0.1242
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.015	0.2827	0.5891
Brugia malayi	Cytochrome P450 family protein	0.015	0.2827	0.278
Schistosoma mansoni	lipoxygenase	0.0038	0.034	0.0584
Echinococcus multilocularis	Polycystic kidney disease protein	0.0038	0.034	0.0584
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.5816	1
Schistosoma mansoni	hypothetical protein	0.0038	0.034	0.0584
Trichomonas vaginalis	glucosylceramidase, putative	0.0196	0.3862	0.6641
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.015	0.2827	0.5324
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.015	0.2827	0.5891
Plasmodium falciparum	nitric oxide synthase, putative	0.0026	0.0066	0.0323
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0052	0.0649	0.1236
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.015	0.2827	0.5891
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.3638	0.6256
Loa Loa (eye worm)	doublecortin family protein	0.0038	0.034	0.0276
Echinococcus granulosus	L aminoadipate semialdehyde	0.0091	0.1522	0.3102
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0052	0.0649	0.1242
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.015	0.2827	0.5332
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.015	0.2827	0.5332
Leishmania major	cytochrome p450-like protein	0.015	0.2827	0.5383
Loa Loa (eye worm)	cytochrome P450 family protein	0.0259	0.5252	0.5221
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0026	0.0066	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1522	0.1466
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0026	0.0066	0.0018
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.5816	1
Brugia malayi	Cytochrome P450 family protein	0.0259	0.5252	0.5221
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.015	0.2827	0.5891
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.5816	1
Schistosoma mansoni	loxhd1	0.0038	0.034	0.0584
Echinococcus granulosus	mitogen activated protein kinase	0.0052	0.0649	0.1242
Schistosoma mansoni	hypothetical protein	0.015	0.2827	0.5883
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.015	0.2827	0.5891
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.015	0.2827	0.5383
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0091	0.1522	0.1466
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.015	0.2827	0.5891
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.3638	0.6256
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0091	0.1522	0.3102
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.015	0.2827	0.5891
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0108	0.1882	0.3868
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.015	0.2827	0.5332
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0052	0.0649	0.114
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.034	0.0584
Brugia malayi	Cytochrome P450 family protein	0.0259	0.5252	0.5221
Schistosoma mansoni	polycystin 1-related	0.0038	0.034	0.0584
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.015	0.2827	0.5332
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.015	0.2827	0.5891
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0138	0.2569	0.2519
Echinococcus granulosus	RUN	0.0038	0.034	0.0584
Trypanosoma cruzi	cytochrome P450, putative	0.0259	0.5252	1
Trypanosoma brucei	protein kinase, putative	0.0052	0.0649	0.114
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0138	0.2569	0.4825
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0038	0.034	0.0584
Brugia malayi	hypothetical protein	0.0038	0.034	0.0276
Brugia malayi	cytochrome P450	0.015	0.2827	0.278
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0026	0.0066	0.0018
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0237	0.476	1
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.015	0.2827	0.5891
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0138	0.2569	0.489
Brugia malayi	Cytochrome P450 family protein	0.0365	0.761	0.7595
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.015	0.2827	0.5332
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0237	0.476	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0237	0.476	0.9052
Mycobacterium leprae	Conserved hypothetical protein	0.015	0.2827	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.034	0.0584
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0138	0.2569	1
Loa Loa (eye worm)	CYP4Cod1	0.0259	0.5252	0.5221
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0038	0.034	0.0584
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.015	0.2827	0.5332
Trichomonas vaginalis	sulfite reductase, putative	0.0026	0.0066	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1909	0.1855
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0259	0.5252	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0052	0.0649	0.1124
Brugia malayi	hypothetical protein	0.0038	0.034	0.0276
Schistosoma mansoni	cytochrome P450	0.015	0.2827	0.5883
Brugia malayi	MAP kinase sur-1	0.0052	0.0649	0.0587
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.015	0.2827	0.5332
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.015	0.2827	0.5332
Schistosoma mansoni	rab6-interacting	0.0038	0.034	0.0584
Trichomonas vaginalis	glucosylceramidase, putative	0.0186	0.3638	0.6256
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.015	0.2827	0.5891
Loa Loa (eye worm)	cytochrome P450 family protein	0.0259	0.5252	0.5221
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.5816	1
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.015	0.2827	0.5332
Echinococcus multilocularis	transcription factor Dp 1	0.008	0.1269	0.2563
Loa Loa (eye worm)	cytochrome P450 family protein	0.0365	0.761	0.7595
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.015	0.2827	0.5891
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0052	0.0649	0.1124
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0649	0.1116
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0472	1	1
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0026	0.0057	0.1677
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.015	0.2827	0.5891
Echinococcus granulosus	transcription factor Dp 1	0.008	0.1269	0.2563

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 470 nM	Inhibition of binding of [3H]-NECA to adenosine A2 receptor of rat striatal membranes.	ChEMBL.	2754691
Ki (binding)	= 9000 nM	Inhibition of binding of [3H]-N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes.	ChEMBL.	2754691

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: CHEMBL603572

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 1116659