TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 530.567 | Formula: C27H34N2O9
H donors: 6 H acceptors: 6 LogP: 1.29 Rotable bonds: 7
Rule of 5 violations (Lipinski): 3
SMILES: OC[C@@H]1O[C@H](O[C@H]2[C@@H](C=C)[C@H](C[C@@H]3N2CCc2c3[nH]c3c2cccc3)/C(=C/O)/C(=O)OC)[C@H]([C@@H]([C@H]1O)O)O
InChi: 1S/C27H34N2O9/c1-3-13-16(17(11-30)26(35)36-2)10-19-21-15(14-6-4-5-7-18(14)28-21)8-9-29(19)25(13)38-27-24(34)23(33)22(32)20(12-31)37-27/h3-7,11,13,16,19-20,22-25,27-28,30-34H,1,8-10,12H2,2H3/b17-11-/t13-,16-,19-,20-,22-,23+,24-,25-,27+/m0/s1
InChiKey: XAYUCVICBPYPRE-LPRPFWDGSA-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
Rattus norvegicus	Acetylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Acetylcholinesterase	614 aa	581 aa	27.0 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	614 aa	602 aa	24.3 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	507 aa	26.4 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	574 aa	24.0 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	614 aa	642 aa	34.1 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	632 aa	25.6 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	614 aa	496 aa	24.0 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	614 aa	642 aa	34.0 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	614 aa	547 aa	32.5 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	614 aa	531 aa	39.7 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	573 aa	30.5 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	570 aa	25.4 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	614 aa	564 aa	29.8 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	583 aa	30.7 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	614 aa	577 aa	40.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.3066	0.3007
Echinococcus granulosus	acetylcholinesterase	0.0082	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.1263	0.1263
Brugia malayi	Carboxylesterase family protein	0.0014	0.1263	0.1189
Echinococcus granulosus	pyruvate kinase	0.0017	0.1638	0.1567
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0084	0.0084
Entamoeba histolytica	hypothetical protein	0.0035	0.4006	1
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0084	0.0084
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0376	0.0294
Brugia malayi	hypothetical protein	0.0035	0.4006	0.3956
Schistosoma mansoni	histamine h1 receptor	0.0005	0.0084	0.0084
Onchocerca volvulus		0.0014	0.1263	0.3281
Loa Loa (eye worm)	carboxylesterase	0.0014	0.1263	0.1189
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0084	0.0084
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0005	0.0084	0.0084
Schistosoma mansoni	opsin-like receptor	0.0005	0.0084	0.0084
Echinococcus multilocularis	cpg binding protein	0.0029	0.327	0.3213
Schistosoma mansoni	myosin xvIII	0.0005	0.0084	0.0084
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0084	0.0084
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.3677	1
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0084	0.0084
Brugia malayi	Carboxylesterase family protein	0.0082	1	1
Brugia malayi	Carboxylesterase family protein	0.0014	0.1263	0.1189
Echinococcus granulosus	pyruvate kinase	0.0033	0.3677	0.3624
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.3677	1
Echinococcus granulosus	pyruvate kinase	0.0017	0.1638	0.1567
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.3677	1
Loa Loa (eye worm)	hypothetical protein	0.0082	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.4006	0.3956
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0594	0.0514
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0005	0.0084	0.0084
Schistosoma mansoni	cpg binding protein	0.0028	0.3066	0.3066
Echinococcus multilocularis	pyruvate kinase	0.0017	0.1638	0.1567
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0594	0.0514
Schistosoma mansoni	cpg binding protein	0.0029	0.327	0.327
Schistosoma mansoni	hypothetical protein	0.0005	0.0084	0.0084
Brugia malayi	Carboxylesterase family protein	0.0014	0.1263	0.1189
Entamoeba histolytica	hypothetical protein	0.0035	0.4006	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1263	0.1189
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.1263	0.1263
Loa Loa (eye worm)	carboxylesterase	0.0082	1	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0005	0.0084	0.0084
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0594	0.0514
Brugia malayi	pyruvate kinase	0.0007	0.037	0.0288
Echinococcus granulosus	acetylcholinesterase	0.0082	1	1
Schistosoma mansoni	acetylcholinesterase	0.0014	0.1263	0.1263
Echinococcus granulosus	cpg binding protein	0.0029	0.327	0.3213
Loa Loa (eye worm)	carboxylesterase	0.0014	0.1263	0.1189
Schistosoma mansoni	growth hormone secretagogue receptor	0.0005	0.0084	0.0084
Schistosoma mansoni	amine GPCR	0.0005	0.0084	0.0084
Loa Loa (eye worm)	pyruvate kinase	0.0007	0.037	0.0288
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0005	0.0084	0.0084
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.1868	0.1131
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.3677	1
Onchocerca volvulus		0.0028	0.3066	0.8298
Schistosoma mansoni	opsin-like receptor	0.0005	0.0084	0.0084
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.3677	0.3624
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1263	0.1189
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0005	0.0084	0.0084
Echinococcus multilocularis	acetylcholinesterase	0.0082	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0084	0.0084
Echinococcus multilocularis	para nitrobenzyl esterase	0.0014	0.1263	0.1189
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0084	0.0084
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.7079	0.7079
Schistosoma mansoni	pyruvate kinase	0.0017	0.1638	0.1638
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.3677	0.3624
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.1263	0.1263
Echinococcus multilocularis	pyruvate kinase	0.0033	0.3677	0.3624
Onchocerca volvulus		0.0014	0.1263	0.3281
Trichomonas vaginalis	spcc417.12 protein, putative	0.0014	0.1263	0.2857
Schistosoma mansoni	ap endonuclease	0.0019	0.1868	0.1868
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0014	0.1263	0.1189
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.3677	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0005	0.0084	0.0084
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.001	0.0755	0.0677
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0084	0.0084
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.1868	0.2507
Echinococcus multilocularis	pyruvate kinase	0.0033	0.3677	0.3624
Echinococcus multilocularis	acetylcholinesterase	0.0082	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.4006	0.3956
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.1868	0.18
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0084	0.0084
Schistosoma mansoni	hypothetical protein	0.0005	0.0084	0.0084
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0376	0.0376
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.1868	0.2507
Brugia malayi	CXXC zinc finger family protein	0.0028	0.3066	0.3007
Entamoeba histolytica	hypothetical protein	0.0035	0.4006	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0005	0.0084	0.0084
Schistosoma mansoni	neuropeptide F-like receptor	0.0005	0.0084	0.0084
Brugia malayi	hypothetical protein	0.0014	0.1263	0.1189
Schistosoma mansoni	ap endonuclease	0.0019	0.1868	0.1868
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.1868	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1263	0.1189
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.1868	0.4647
Schistosoma mansoni	neuropeptide f receptor 76f	0.0005	0.0084	0.0084
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0014	0.1263	0.1189
Schistosoma mansoni	pyruvate kinase	0.0033	0.3677	0.3677
Echinococcus granulosus	pyruvate kinase	0.0033	0.3677	0.3624
Plasmodium falciparum	pyruvate kinase	0.0033	0.3677	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.058	0.05
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.3677	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	1	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.1638	0.1567
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.3677	1
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.2409	0.2531
Onchocerca volvulus		0.0014	0.1263	0.3281
Schistosoma mansoni	hypothetical protein	0.0035	0.4006	0.4006
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1263	0.1189
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0005	0.0084	0.0084
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.3677	0.5
Toxoplasma gondii	exonuclease III APE	0.0019	0.1868	0.0498
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.1868	0.5
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0084	0.0084
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0376	0.0294
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.3677	1
Schistosoma mansoni	hypothetical protein	0.0005	0.0084	0.0084
Schistosoma mansoni	amine GPCR	0.0005	0.0084	0.0084
Echinococcus granulosus	neuroligin	0.0014	0.1263	0.1189
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.4006	0.4006
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0014	0.1263	0.1189
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.3677	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1263	0.1189
Echinococcus multilocularis	neuroligin	0.0014	0.1263	0.1189
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0376	0.0294
Schistosoma mansoni	BC026374 protein (S09 family)	0.0014	0.1263	0.1263
Schistosoma mansoni	hypothetical protein	0.0005	0.0084	0.0084
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.3677	0.3624
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.3677	0.3624
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0084	0.0084
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0014	0.1263	0.2857
Echinococcus granulosus	carboxylesterase 5A	0.0082	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0084	0.0084
Echinococcus multilocularis	pyruvate kinase	0.0017	0.1638	0.1567
Schistosoma mansoni	amine GPCR	0.0005	0.0084	0.0084
Schistosoma mansoni	amine GPCR	0.0005	0.0084	0.0084
Onchocerca volvulus		0.0014	0.1263	0.3281
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.3677	1
Schistosoma mansoni	opsin-like receptor	0.0005	0.0084	0.0084
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.6268	1
Brugia malayi	pyruvate kinase, muscle isozyme	0.0007	0.037	0.0288
Brugia malayi	Carboxylesterase family protein	0.0014	0.1263	0.1189
Echinococcus granulosus	pyruvate kinase	0.0017	0.1638	0.1567
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.3677	0.4405
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.3677	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0014	0.1263	0.1189
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3677	0.3624
Onchocerca volvulus		0.0014	0.1263	0.3281
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.1868	0.18
Loa Loa (eye worm)	hypothetical protein	0.0023	0.2409	0.2345
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1263	0.1189
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0084	0.0084
Giardia lamblia	Pyruvate kinase	0.0033	0.3677	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1263	0.1189
Echinococcus multilocularis	pyruvate kinase	0.0026	0.2794	0.2734
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.3677	0.3624
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0005	0.0084	0.0084
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0014	0.1263	0.1263
Schistosoma mansoni	pyruvate kinase	0.0033	0.3677	0.3677
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0005	0.0084	0.0084
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	1	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0376	0.0294
Schistosoma mansoni	gliotactin	0.0014	0.1263	0.1263
Schistosoma mansoni	amine GPCR	0.0005	0.0084	0.0084
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.2409	0.2345
Schistosoma mansoni	cpg binding protein	0.0029	0.327	0.327
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0005	0.0084	0.0084
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.3677	1
Leishmania major	pyruvate kinase	0.0033	0.3677	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0005	0.0084	0.0084
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.1868	0.18
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.1868	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.1868	0.1131
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0084	0.0084
Echinococcus multilocularis	carboxylesterase 5A	0.0082	1	1
Schistosoma mansoni	adenoreceptor	0.0005	0.0084	0.0084
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0084	0.0084
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0082	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0005	0.0084	0.0084
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.1868	0.4647
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0084	0.0084
Leishmania major	pyruvate kinase	0.0033	0.3677	1
Entamoeba histolytica	hypothetical protein	0.0035	0.4006	1
Echinococcus granulosus	BC026374 protein S09 family	0.0014	0.1263	0.1189
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.1868	0.18
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0005	0.0084	0.0084
Chlamydia trachomatis	pyruvate kinase	0.0033	0.3677	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Inhibition of acetylcholinesterase at 0.1 uM by TLC screening assay	ChEMBL.	15568781
IC12 (functional)	= 100 ug ml-1	DNA damaging activity in yeast RS 322YK mutant assessed as drug level required to produce 12 mm zone of inhibition	ChEMBL.	12880329
IC12 (functional)	> 250 ug ml-1	DNA damaging activity in yeast RS 188N mutant assessed as drug level required to produce 12 mm zone of inhibition	ChEMBL.	12880329
IC50 (binding)	= 1.86 uM	Inhibition of rat brain acetylcholinesterase by colorimetric method	ChEMBL.	15568781

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: CHEMBL452240

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 957952