TDR Targets

Basic information

Technical information

TDR Targets ID: 1201846
Name: (2S,3S,4Z)-4-[(1S)-1-[1-[(3S,4S)-4-hydroxyoxo lan-3-yl]triazol-4-yl]ethoxy]imino-6-methoxy- 2-(3-methoxyphenyl)chroman-3-ol
MW: 496.512 | Formula: C25H28N4O7
H donors: 2 H acceptors: 4 LogP: 1.55 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)/C(=N/O[C@H](c1nnn(c1)[C@H]1COC[C@H]1O)C)/[C@@H]([C@@H](O2)c1cccc(c1)OC)O
InChi: 1S/C25H28N4O7/c1-14(19-11-29(28-26-19)20-12-34-13-21(20)30)36-27-23-18-10-17(33-3)7-8-22(18)35-25(24(23)31)15-5-4-6-16(9-15)32-2/h4-11,14,20-21,24-25,30-31H,12-13H2,1-3H3/b27-23-/t14-,20-,21+,24-,25-/m0/s1
InChiKey: GHSQZXJUVUQQBI-YGYUPUFFSA-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,3S,4Z)-4-[(1S)-1-[1-[(3S,4S)-4-hydroxytetrahydrofuran-3-yl]triazol-4-yl]ethoxy]imino-6-methoxy-2-(3-methoxyphenyl)chroman-3-ol
(2S,3S,4Z)-4-[(1S)-1-[1-[(3S,4S)-4-hydroxy-3-tetrahydrofuranyl]-4-triazolyl]ethoxy]imino-6-methoxy-2-(3-methoxyphenyl)-3-chromanol
(2S,3S,4Z)-4-[(1S)-1-[1-[(3S,4S)-4-hydroxyoxolan-3-yl]-1,2,3-triazol-4-yl]ethoxy]imino-6-methoxy-2-(3-methoxyphenyl)chroman-3-ol

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
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	cytochrome P450 556	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
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
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 congolense	cytochrome P450, putative	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
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	Cytochrome P450 family 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
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	cytochrome p450-like 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
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	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
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	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

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
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0046	0.2185
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0613	0.1533
Echinococcus granulosus	peregrin	0.0029	0.0071	0.0177
Schistosoma mansoni	hypothetical protein	0.0029	0.0071	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0035	0.021	0.021
Brugia malayi	hypothetical protein	0.0117	0.2241	0.2241
Schistosoma mansoni	jumonji domain containing protein	0.0141	0.2816	0.7047
Onchocerca volvulus		0.0432	1	1
Brugia malayi	jmjC domain containing protein	0.01	0.1805	0.1805
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.021	1
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0071	1
Leishmania major	hypothetical protein, conserved	0.0035	0.021	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0071	0.0177
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.021	1
Brugia malayi	PHD-finger family protein	0.0029	0.0071	0.0071
Loa Loa (eye worm)	jmjC domain-containing protein	0.01	0.1805	0.1805
Mycobacterium ulcerans	beta-lactamase	0.0035	0.021	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.021	0.0526
Echinococcus multilocularis	geminin	0.0189	0.3996	1
Entamoeba histolytica	hypothetical protein	0.0117	0.2241	0.5
Mycobacterium leprae	Probable lipase LipE	0.0035	0.021	0.5
Brugia malayi	beta-lactamase	0.0035	0.021	0.021
Schistosoma mansoni	hypothetical protein	0.0117	0.2241	0.5608
Leishmania major	hypothetical protein, conserved	0.0028	0.0046	0.2185
Mycobacterium ulcerans	lipase LipD	0.0035	0.021	1
Leishmania major	cytochrome p450-like protein	0.003	0.0083	0.396
Brugia malayi	RNA recognition motif domain containing protein	0.0136	0.2688	0.2688
Entamoeba histolytica	hypothetical protein	0.0117	0.2241	0.5
Trypanosoma brucei	cytochrome P450, putative	0.003	0.0083	0.396
Echinococcus multilocularis	lysine specific demethylase 5A	0.01	0.1805	0.4516
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.021	0.0526
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.021	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0046	0.6494
Brugia malayi	Cytochrome P450 family protein	0.0039	0.0314	0.0314
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0161	0.3305	0.8271
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.021	1
Loa Loa (eye worm)	runx1	0.0054	0.0681	0.0681
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0046	0.6494
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0117	0.2241	0.5608
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.021	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0845	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0046	0.0046
Schistosoma mansoni	jumonji/arid domain-containing protein	0.01	0.1805	0.4516
Echinococcus multilocularis	peregrin	0.0029	0.0071	0.0177
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0071	0.3365
Onchocerca volvulus		0.0035	0.021	0.014
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0355	0.0889
Loa Loa (eye worm)	beta-lactamase	0.0035	0.021	0.021
Brugia malayi	Cytochrome P450 family protein	0.003	0.0083	0.0083
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.021	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.021	0.5
Onchocerca volvulus		0.0035	0.021	0.014
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.2688	0.6725
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.021	0.5
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0071	0.0177
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0355	0.0889
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0083	0.0083
Echinococcus multilocularis	Protein lozenge	0.0054	0.0681	0.1703
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.2688	0.6725
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0613	0.1533
Loa Loa (eye worm)	CYP4Cod1	0.003	0.0083	0.0083
Mycobacterium ulcerans	hypothetical protein	0.0035	0.021	1
Entamoeba histolytica	hypothetical protein	0.0117	0.2241	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.4878	1
Echinococcus granulosus	lysine specific demethylase 5A	0.01	0.1805	0.4516
Schistosoma mansoni	hypothetical protein	0.0189	0.3996	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.021	0.021
Schistosoma mansoni	transcription factor LCR-F1	0.0117	0.2241	0.5608
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.021	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0071	0.0071
Brugia malayi	hypothetical protein	0.0028	0.0046	0.0046
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0613	0.0613
Schistosoma mansoni	lozenge	0.0054	0.0681	0.1703
Loa Loa (eye worm)	hypothetical protein	0.0035	0.021	0.021
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.021	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.021	0.5
Onchocerca volvulus		0.0035	0.021	0.014
Toxoplasma gondii	ABC1 family protein	0.0035	0.021	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0083	0.0083
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0117	0.2241	0.5608
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0046	0.2185
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0136	0.2688	0.2688
Loa Loa (eye worm)	cytochrome P450 family protein	0.0039	0.0314	0.0314
Giardia lamblia	PHD finger protein 15	0.0029	0.0071	0.5
Brugia malayi	jmjC domain containing protein	0.0161	0.3305	0.3305
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.2688	0.6725
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.021	0.0526
Brugia malayi	TAR-binding protein	0.0136	0.2688	0.2688
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.021	0.021
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0071	0.0071
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.021	0.021
Brugia malayi	beta-lactamase family protein	0.0035	0.021	0.021
Echinococcus granulosus	geminin	0.0189	0.3996	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.021	0.021
Loa Loa (eye worm)	hypothetical protein	0.0035	0.021	0.021
Loa Loa (eye worm)	RNA binding protein	0.0136	0.2688	0.2688
Echinococcus granulosus	tar DNA binding protein	0.0136	0.2688	0.6725
Loa Loa (eye worm)	hypothetical protein	0.0432	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0136	0.2688	0.6725
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0161	0.3305	0.8271
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.2688	0.6725
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0046	0.2185
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0613	0.0613
Loa Loa (eye worm)	hypothetical protein	0.0035	0.021	0.021
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0046	0.2185
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0046	0.2185
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0613	0.1533
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.2688	0.6725
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0613	0.1533
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.021	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1012	0.1012
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.0083	0.396
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0071	0.3365
Brugia malayi	Bromodomain containing protein	0.0029	0.0071	0.0071
Loa Loa (eye worm)	TAR-binding protein	0.0136	0.2688	0.2688
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0071	0.0177
Brugia malayi	Cytochrome P450 family protein	0.003	0.0083	0.0083
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.021	0.0526
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0613	0.1533
Entamoeba histolytica	hypothetical protein	0.0117	0.2241	0.5
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0071	0.3365
Loa Loa (eye worm)	hypothetical protein	0.0432	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.0083	0.396
Schistosoma mansoni	hypothetical protein	0.0189	0.3996	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0613	0.1533
Schistosoma mansoni	jumonji/arid domain-containing protein	0.01	0.1805	0.4516
Brugia malayi	RNA binding protein	0.0136	0.2688	0.2688
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0613	0.1533
Trichomonas vaginalis	esterase, putative	0.0035	0.021	0.5
Brugia malayi	beta-lactamase family protein	0.0035	0.021	0.021

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 3.16227766 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (ADMET)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	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: CHEMBL1337934

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1201846