TDR Targets

Basic information

Technical information

TDR Targets ID: 1240879
Name: methyl 4-[(E,4R)-2,4-dimethyl-5-(4-methylpipe razin-1-yl)-5-oxo-1-(phenylmethoxycarbonylami no)pent-2-enyl]benzoate
MW: 493.595 | Formula: C28H35N3O5
H donors: 1 H acceptors: 3 LogP: 3.9 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)C(/C(=C/[C@H](C(=O)N1CCN(CC1)C)C)/C)NC(=O)OCc1ccccc1
InChi: 1S/C28H35N3O5/c1-20(18-21(2)26(32)31-16-14-30(3)15-17-31)25(23-10-12-24(13-11-23)27(33)35-4)29-28(34)36-19-22-8-6-5-7-9-22/h5-13,18,21,25H,14-17,19H2,1-4H3,(H,29,34)/b20-18+/t21-,25?/m1/s1
InChiKey: DLKZTHMEARVNFP-IUDUWHHHSA-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

4-[(E,4R)-2,4-dimethyl-5-(4-methyl-1-piperazinyl)-5-oxo-1-[[oxo-(phenylmethoxy)methyl]amino]pent-2-enyl]benzoic acid methyl ester
4-[(E,4R)-1-(benzyloxycarbonylamino)-5-keto-2,4-dimethyl-5-(4-methylpiperazin-1-yl)pent-2-enyl]benzoic acid methyl ester
UPCMLD05ADMT002119
SDCCGMLS-0091608.P001
CMLD4_000483
NCGC00092076-01

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	tumor protein p53	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
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
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
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	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	cytochrome P450 56	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
Trypanosoma cruzi	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 cruzi	cytochrome P450, putative	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
Leishmania infantum	cytochrome p450-like protein	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
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	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 donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Loa Loa (eye worm)	hypothetical 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
Trypanosoma brucei	cytochrome P450, putative	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
Leishmania braziliensis	cytochrome p450-like 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

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
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0184	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0728	0.0977
Schistosoma mansoni	ran	0.0021	0.0283	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0022	0.0029
Toxoplasma gondii	PHD-finger domain-containing protein	0.0011	0.0025	0.0031
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0011	0.0025	0.0031
Loa Loa (eye worm)	RNA binding protein	0.0125	0.2899	0.3892
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.033	1
Echinococcus granulosus	jumonji domain containing 1A	0.0011	0.0022	0.0022
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0012	0.0061	0.0061
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0867	0.0867
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0019	0.023	0.0281
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0109	0.2487	0.2487
Loa Loa (eye worm)	hypothetical protein	0.006	0.1252	0.1681
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0473	0.0473
Echinococcus multilocularis	JmjC domain containing protein 4	0.0011	0.0022	0.0022
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.033	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0622	0.0622
Echinococcus granulosus	snurportin 1	0.0307	0.745	0.745
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0184	0.2864
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2899	0.3874
Brugia malayi	Bromodomain containing protein	0.0033	0.0587	0.0991
Leishmania major	GTP-binding protein, putative	0.0021	0.0283	0.8286
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0283	0.8286
Onchocerca volvulus		0.0028	0.0452	0.0196
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.033	0.8701
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2899	0.3874
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0011	0.0025	0.0075
Schistosoma mansoni	hypothetical protein	0.0018	0.0204	0.0245
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0125	0.3284
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0473	0.4151
Loa Loa (eye worm)	hypothetical protein	0.0023	0.033	0.0443
Schistosoma mansoni	cpg binding protein	0.0029	0.0492	0.0633
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0184	0.2867
Echinococcus multilocularis	tumor protein p63	0.0408	1	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0283	0.0458
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.033	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0011	0.0022	0.0029
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0473	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.004	0.0763	0.0763
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.033	1
Schistosoma mansoni	hypothetical protein	0.0307	0.745	1
Brugia malayi	TAR-binding protein	0.0125	0.2899	0.5042
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0238	0.5729	0.769
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0473	0.0635
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.1109	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0576	0.0576
Schistosoma mansoni	hypothetical protein	0.0018	0.0204	0.0245
Brugia malayi	Pre-SET motif family protein	0.0035	0.0622	0.1053
Echinococcus multilocularis	jumonji domain containing 1A	0.0011	0.0022	0.0022
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0337	1
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0283	0.2401
Schistosoma mansoni	hypothetical protein	0.0039	0.0728	0.0951
Echinococcus multilocularis	phd:f box containing protein	0.0011	0.0022	0.0022
Brugia malayi	AF-10 protein	0.0011	0.0025	0.0006
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.033	0.9777
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.2899	0.2899
Mycobacterium ulcerans	hypothetical protein	0.0023	0.033	1
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.0125	0.2292
Echinococcus multilocularis	snurportin 1	0.0307	0.745	0.745
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0184	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0023	0.033	0.0443
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0011	0.0025	0.0075
Brugia malayi	jmjC domain containing protein	0.0042	0.0803	0.1369
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0587	0.0788
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2899	0.3874
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.033	0.054
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0867	0.1138
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.033	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0204	0.0204
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0125	0.0181
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0622	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0057	0.118	0.1584
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0184	0.0247
Brugia malayi	PHD-finger family protein	0.0033	0.0587	0.0991
Schistosoma mansoni	ran	0.0021	0.0283	0.0352
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.1252	0.1656
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0473	0.7516
Echinococcus granulosus	GPCR family 2	0.0018	0.0204	0.0204
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.0125	0.0168
Echinococcus granulosus	phd:f box containing protein	0.0011	0.0022	0.0022
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0125	0.0168
Schistosoma mansoni	hypothetical protein	0.0018	0.0204	0.0245
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.2899	0.5042
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0622	0.0622
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0033	0.0587	0.0587
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.033	1
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0204	0.0204
Loa Loa (eye worm)	jmjC domain-containing protein	0.0011	0.0022	0.0029
Echinococcus granulosus	PHD finger protein rhinoceros	0.0033	0.0587	0.0587
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.033	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.033	0.054
Toxoplasma gondii	PHD-finger domain-containing protein	0.0033	0.0587	0.5199
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.118	0.203
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0337	0.0086
Onchocerca volvulus		0.0035	0.0622	0.047
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0473	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0867	0.0867
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0622	0.5524
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0204	0.0319
Entamoeba histolytica	hypothetical protein	0.0023	0.0337	1
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0012	0.0061	0.0061
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.2899	0.3892
Plasmodium vivax	SET domain protein, putative	0.0035	0.0622	1
Brugia malayi	PHD-finger family protein	0.0012	0.0065	0.0076
Loa Loa (eye worm)	jmjC domain-containing protein	0.0011	0.0022	0.0029
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2899	0.3874
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.2899	0.3892
Schistosoma mansoni	cpg binding protein	0.0028	0.0452	0.0579
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0283	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0184	0.0247
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0033	0.0587	0.0761
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0587	0.9413
Loa Loa (eye worm)	jmjC domain-containing protein	0.0042	0.0803	0.1077
Leishmania major	cytochrome p450-like protein	0.0015	0.0125	0.3284
Schistosoma mansoni	hypothetical protein	0.0011	0.0025	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0023	0.033	0.0443
Echinococcus granulosus	tar DNA binding protein	0.0125	0.2899	0.2899
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0283	0.4347
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.118	0.203
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0204	0.0274
Onchocerca volvulus		0.006	0.1252	0.1482
Brugia malayi	RNA, U transporter 1	0.0082	0.1803	0.3121
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.033	1
Plasmodium falciparum	phd finger protein, putative	0.0033	0.0587	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0184	0.0247
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.033	0.9777
Echinococcus granulosus	cpg binding protein	0.0029	0.0492	0.0492
Echinococcus multilocularis	jumonji domain containing protein	0.0046	0.0914	0.0914
Onchocerca volvulus		0.0271	0.6552	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0042	0.0803	0.1052
Schistosoma mansoni	jumonji domain containing protein	0.0087	0.1925	0.2562
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0452	0.0754
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0622	0.0809
Trichomonas vaginalis	set domain proteins, putative	0.0271	0.6552	1
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0283	0.4618
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0204	0.0204
Giardia lamblia	PHD finger protein 15	0.0033	0.0587	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0283	0.8286
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0473	0.0473
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0867	0.1138
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0337	0.0086
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0337	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.033	1
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0125	0.3284
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0867	0.1138
Echinococcus granulosus	jumonji domain containing protein	0.0046	0.0914	0.0914
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.033	0.054
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0184	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0022	0.0029
Brugia malayi	Importin beta-1 subunit	0.0029	0.0473	0.0791
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0867	0.1163
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0867	0.0867
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.033	1
Echinococcus granulosus	peregrin	0.0033	0.0587	0.0587
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.033	0.8701
Echinococcus multilocularis	cpg binding protein	0.0029	0.0492	0.0492
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0622	0.0622
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0204	0.0319
Loa Loa (eye worm)	PHD-finger family protein	0.0033	0.0587	0.0788
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0337	0.0086
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0452	0.0606
Loa Loa (eye worm)	jmjC domain-containing protein	0.0069	0.1476	0.1982
Schistosoma mansoni	cpg binding protein	0.0029	0.0492	0.0633
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0109	0.2487	0.2487
Plasmodium vivax	hypothetical protein, conserved	0.0013	0.0068	0.0767
Plasmodium falciparum	importin beta, putative	0.0029	0.0473	0.7984
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0042	0.0803	0.1052
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0125	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0622	0.0835
Echinococcus granulosus	lysine specific demethylase 5A	0.0042	0.0803	0.0803
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.033	0.5
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0283	0.5784
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0018	0.0024
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0283	0.038
Brugia malayi	RNA binding protein	0.0125	0.2899	0.5042
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0307	0.745	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0204	0.0245
Onchocerca volvulus	Alhambra homolog	0.0033	0.0587	0.0414
Schistosoma mansoni	hypothetical protein	0.0033	0.0587	0.0761
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0125	0.0168
Brugia malayi	Pre-SET motif family protein	0.0238	0.5729	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0065	0.0087
Echinococcus granulosus	lysine specific demethylase 6a	0.0011	0.0022	0.0022
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0204	0.0274
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.118	0.1584
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.0013	0.0068	0.0814
Toxoplasma gondii	PHD-finger domain-containing protein	0.0033	0.0587	0.5199
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.1268	0.1678
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0184	0.139
Echinococcus multilocularis	peregrin	0.0033	0.0587	0.0587
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.033	0.8701
Brugia malayi	jmjC domain containing protein	0.0109	0.2487	0.432
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0184	0.2698
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.033	0.9777
Schistosoma mansoni	importin beta-1	0.0029	0.0473	0.0608
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.2899	0.3874
Echinococcus granulosus	JmjC domain containing protein 4	0.0011	0.0022	0.0022
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0283	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1184	0.1589
Brugia malayi	F/Y-rich N-terminus family protein	0.0021	0.027	0.0436
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0622	0.0809
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0728	0.1238
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0867	0.0867
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0622	0.0809
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0204	0.0204
Echinococcus multilocularis	lysine specific demethylase 6a	0.0011	0.0022	0.0022
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0867	0.1481

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ]	ChEMBL.	No reference
Potency (ADMET)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 1.2589 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	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: CHEMBL1332709

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1240879