TDR Targets

Basic information

Technical information

TDR Targets ID: 1205937
Name: methyl (2S,3aS,6R,7aS)-6-hydroxy-1-[(4-phenyl phenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroind ole-2-carboxylate
MW: 365.465 | Formula: C23H27NO3
H donors: 1 H acceptors: 2 LogP: 4.02 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)[C@@H]1C[C@H]2[C@@H](N1Cc1ccc(cc1)c1ccccc1)C[C@@H](CC2)O
InChi: 1S/C23H27NO3/c1-27-23(26)22-13-19-11-12-20(25)14-21(19)24(22)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,19-22,25H,11-15H2,1H3/t19-,20+,21-,22-/m0/s1
InChiKey: WTXUTKYEZVYCHY-LRSLUSHPSA-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

(2S,3aS,6R,7aS)-6-hydroxy-1-[(4-phenylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid methyl ester
(2S,3aS,6R,7aS)-6-hydroxy-1-(4-phenylbenzyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid methyl ester
UPCMLD10ADHK002009:001
NCGC00142333-01
SDCCGMLS-0091895.P001

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Nuclear hormone receptor-like 1	0.0005	0.0081	0.0081
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0752	0.0752
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.8252	0.8567
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.1978	0.5
Echinococcus multilocularis	JmjC domain containing protein 4	0.0019	0.2076	0.2155
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0752	0.0758
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0752	0.0758
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0752	0.0758
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.1978	0.8342
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.1978	0.8342
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0752	0.0781
Echinococcus granulosus	jumonji domain containing 1A	0.0019	0.2076	0.2093
Echinococcus multilocularis	phd:f box containing protein	0.0019	0.2076	0.2155
Schistosoma mansoni	coup transcription factor	0.001	0.0752	0.0752
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0081	0.0081
Onchocerca volvulus		0.001	0.0752	0.1725
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.7882	0.8579
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0019	0.2076	1
Brugia malayi	steroid hormone receptor	0.001	0.0752	0.0758
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.1483	0.1495
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0081	0.0081
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0019	0.2076	0.0143
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.8252	0.8252
Brugia malayi	jmjC domain containing protein	0.0071	0.9632	0.9711
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0752	0.0752
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0752	0.0758
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0578	0.06
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0073	0.9918	0.9918
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0752	0.0758
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0752	0.0758
Echinococcus granulosus	phd:f box containing protein	0.0019	0.2076	0.2093
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.2076	0.2093
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.1978	0.0773
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.8252	0.832
Echinococcus multilocularis	jumonji domain containing 1A	0.0019	0.2076	0.2155
Schistosoma mansoni	cpg binding protein	0.0037	0.4646	0.4646
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0752	0.0758
Schistosoma mansoni	ap endonuclease	0.0018	0.1978	0.1978
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0752	0.0758
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0752	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0081	0.0081
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0752	0.0758
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.7882	0.7882
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.1483	0.1495
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.001	0.0752	0.0758
Brugia malayi	jmjC domain containing protein	0.0073	0.9918	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0752	0.0758
Brugia malayi	Cytochrome P450 family protein	0.0015	0.1483	0.1495
Brugia malayi	Cytochrome P450 family protein	0.0015	0.1483	0.1495
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2076	0.2093
Echinococcus granulosus	lysine specific demethylase 5A	0.0073	0.9918	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0752	0.0758
Brugia malayi	nuclear receptor NHR-88	0.001	0.0752	0.0758
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0752	0.0781
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.1978	0.5
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0019	0.2076	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0752	0.0758
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0752	0.0781
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0005	0.0081	0.0081
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0071	0.9632	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.8252	0.8252
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.1978	0.5
Echinococcus multilocularis	cpg binding protein	0.0037	0.4646	0.4824
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.8252	0.8252
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0752	0.0758
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0752	0.0752
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0019	0.2076	0.0143
Brugia malayi	ecdysteroid receptor	0.001	0.0752	0.0758
Schistosoma mansoni	protein phosphatase 2C	0.0019	0.2076	0.2076
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0752	0.0752
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0752	0.0758
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.7882	0.7947
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.7882	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.8252	0.832
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0752	0.0758
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0005	0.0081	0.0081
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.436	0.4395
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0752	0.0752
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0578	0.06
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.8252	0.8252
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.1978	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0752	0.0758
Brugia malayi	nuclear receptor RXR	0.0005	0.0081	0.0081
Schistosoma mansoni	ap endonuclease	0.0018	0.1978	0.1978
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0752	0.0758
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.2076	0.2093
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.9918	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0752	0.0758
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0578	0.0583
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0885	0.0892
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0752	0.0781
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0752	0.0752
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0752	0.0758
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.8252	0.832
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0005	0.0081	0.0081
Schistosoma mansoni	jumonji domain containing protein	0.0071	0.9632	0.9632
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.005	0.005
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0005	0.0081	0.0084
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0752	0.0758
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0752	0.0781
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0073	0.9918	0.9918
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0752	0.0758
Leishmania major	hypothetical protein, conserved	0.0019	0.2076	0.0926
Brugia malayi	jmjC domain containing protein	0.0019	0.2076	0.2093
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.7882	0.8183
Loa Loa (eye worm)	hypothetical protein	0.001	0.0752	0.0758
Brugia malayi	jmjC domain containing protein	0.0019	0.2076	0.2093
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0752	0.1725
Echinococcus granulosus	tar DNA binding protein	0.0062	0.8252	0.832
Echinococcus granulosus	cpg binding protein	0.0037	0.4646	0.4685
Brugia malayi	hypothetical protein	0.0005	0.0081	0.0081
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0019	0.2076	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0752	0.0752
Schistosoma mansoni	phosphatidylserine receptor	0.0019	0.2076	0.2076
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0019	0.2076	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0752	0.0758
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0752	0.0758
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0885	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0081	0.0081
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.886	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0752	0.0758
Schistosoma mansoni	cpg binding protein	0.0037	0.4646	0.4646
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0019	0.2076	0.2076
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0752	0.0752
Brugia malayi	jmjC domain containing protein	0.0019	0.2076	0.2093
Echinococcus granulosus	lysine specific demethylase 6a	0.0019	0.2076	0.2093
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.1978	0.1994
Brugia malayi	jmjC domain containing protein	0.0019	0.2076	0.2093
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0752	0.0758
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.1978	0.0773
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.7882	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0752	0.0758
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0752	0.1725
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0752	0.1725
Brugia malayi	CXXC zinc finger family protein	0.0035	0.436	0.4395
Echinococcus granulosus	JmjC domain containing protein 4	0.0019	0.2076	0.2093
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.1978	0.2053
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0752	0.0781
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0885	0.0919
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0578	0.0583
Schistosoma mansoni	phd/f-box containing protein	0.0019	0.2076	0.2076
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2076	0.2093
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0865	0.0872
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0005	0.0081	0.0081
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.8252	0.8252
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0752	0.0758
Plasmodium vivax	JmjC domain containing protein	0.0019	0.2076	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0752	0.0758
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0752	0.0752
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.8252	0.832
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0752	0.0752
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0071	0.9632	0.9711
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0752	0.0758
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.1978	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0752	0.0758
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0752	0.0758
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.1978	0.1994
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0752	0.0781
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0021	0.2363	0.2382
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0752	0.0758
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.1483	0.1495
Brugia malayi	hypothetical protein	0.0005	0.0081	0.0081
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0021	0.2363	0.2453
Brugia malayi	nuclear hormone receptor	0.001	0.0752	0.0758
Onchocerca volvulus		0.0035	0.436	1
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0752	0.0752
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0752	0.0781
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.1978	0.8342
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0752	0.0758
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.1978	0.1994
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2076	0.2093
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0578	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0863	0.087
Brugia malayi	TAR-binding protein	0.0062	0.8252	0.832
Brugia malayi	RNA binding protein	0.0062	0.8252	0.832
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0752	0.0758
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0752	0.0752
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0752	0.0758
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.7882	0.7882
Brugia malayi	Nuclear hormone receptor-like 1	0.0005	0.0081	0.0081
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.9632	1
Schistosoma mansoni	cpg binding protein	0.0035	0.436	0.436
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.1978	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0752	0.0781
Schistosoma mansoni	jumonji domain containing protein	0.0019	0.2076	0.2076
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.7882	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.7882	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0752	0.0758
Echinococcus multilocularis	lysine specific demethylase 6a	0.0019	0.2076	0.2155
Loa Loa (eye worm)	hypothetical protein	0.001	0.0752	0.0758
Loa Loa (eye worm)	hypothetical protein	0.001	0.0752	0.0758
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.2076	0.2093
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.7882	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (ADMET)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference

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: CHEMBL1357313

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1205937