TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.345 | Formula: C16H19FN4O3
H donors: 4 H acceptors: 5 LogP: 1.58 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CNC(c1nc(O)c(c(n1)C(=O)NCc1ccc(cc1)F)O)(C)C
InChi: 1S/C16H19FN4O3/c1-16(2,18-3)15-20-11(12(22)14(24)21-15)13(23)19-8-9-4-6-10(17)7-5-9/h4-7,18,22H,8H2,1-3H3,(H,19,23)(H,20,21,24)
InChiKey: HIBWYVSXMWDZQR-UHFFFAOYSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.1411	0.1348
Mycobacterium ulcerans	hypothetical protein	0.0192	0.4861	0.5
Brugia malayi	sulfakinin receptor protein	0.0076	0.1411	0.3459
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.1411	0.1348
Brugia malayi	neuropeptide F receptor	0.0076	0.1411	0.3459
Brugia malayi	GnHR receptor homolog	0.0076	0.1411	0.3459
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Plasmodium vivax	DNA polymerase alpha, putative	0.0054	0.0736	0.5
Echinococcus granulosus	sex peptide receptor	0.0076	0.1411	0.4986
Echinococcus granulosus	biogenic amine 5HT receptor	0.0076	0.1411	0.4986
Echinococcus granulosus	allatostatin A receptor	0.0076	0.1411	0.4986
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0029	0.0003	0.0003
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0076	0.1411	0.4986
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0089	0.1785	0.6452
Echinococcus granulosus	fmrfamide receptor	0.0076	0.1411	0.4986
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0076	0.1411	0.4986
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0034	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1785	0.2924
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	biogenic amine receptor	0.0076	0.1411	0.1348
Echinococcus granulosus	biogenic amine 5HT receptor	0.0076	0.1411	0.4986
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0076	0.1411	0.3459
Echinococcus granulosus	g protein coupled receptor	0.0076	0.1411	0.4986
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0034	0.0142	0.0142
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0076	0.1411	0.4986
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0669	0.0669
Schistosoma mansoni	voltage-gated potassium channel	0.0089	0.1785	0.1744
Echinococcus granulosus	hypothetical protein	0.0076	0.1411	0.4986
Schistosoma mansoni	voltage-gated potassium channel	0.0089	0.1785	0.1744
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Entamoeba histolytica	hypothetical protein, conserved	0.0034	0.0142	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0076	0.1411	0.4986
Trypanosoma brucei	unspecified product	0.0029	0.0003	0.0003
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0076	0.1411	0.4986
Echinococcus granulosus	neuropeptides capa receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	opsin-like receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0076	0.1411	0.4986
Echinococcus granulosus	somatostatin receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0076	0.1411	0.1348
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.1411	0.1348
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	neuropeptide receptor	0.0076	0.1411	0.4986
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0142	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0076	0.1411	0.4986
Brugia malayi	follicle stimulating hormone receptor	0.0076	0.1411	0.3459
Brugia malayi	Dopamine receptor protein 1	0.0076	0.1411	0.3459
Schistosoma mansoni	growth hormone secretagogue receptor	0.0076	0.1411	0.1348
Schistosoma mansoni	neuropeptide receptor	0.0076	0.1411	0.1348
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0.0003	0.0003
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Brugia malayi	G protein-coupled receptor	0.0076	0.1411	0.3459
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	1	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.4281	0.4281
Toxoplasma gondii	hypothetical protein	0.0059	0.0893	1
Echinococcus granulosus	orexin receptor type 2	0.0076	0.1411	0.4986
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0076	0.1411	0.1348
Trypanosoma brucei	RNA helicase, putative	0.035	0.9562	0.9562
Schistosoma mansoni	DNA polymerase alpha catalytic subunit	0.0066	0.1107	0.1025
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0076	0.1411	0.1348
Brugia malayi	AKH receptor	0.0076	0.1411	0.3459
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.1411	0.1348
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.4281	0.4281
Echinococcus multilocularis	somatostatin receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	neuropeptide receptor	0.0076	0.1411	0.1348
Onchocerca volvulus	DNA polymerase alpha catalytic subunit homolog	0.0091	0.1843	1
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0034	0.0142	0.0142
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0076	0.1411	0.4986
Schistosoma mansoni	hypothetical protein	0.035	0.9562	1
Echinococcus granulosus	neuropeptides capa receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	amine GPCR	0.0076	0.1411	0.1348
Echinococcus granulosus	tm gpcr rhodopsin	0.0076	0.1411	0.4986
Echinococcus multilocularis	fmrfamide receptor	0.0076	0.1411	0.4986
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Echinococcus granulosus	neuropeptide Y receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	orexin receptor type 2	0.0076	0.1411	0.4986
Schistosoma mansoni	neuropeptide F-like receptor	0.0076	0.1411	0.1348
Echinococcus granulosus	neuropeptide receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	sex peptide receptor	0.0076	0.1411	0.4986
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0089	0.1785	0.5372
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Echinococcus multilocularis	potassium voltage gated channel protein	0.0089	0.1785	0.6452
Brugia malayi	G protein-coupled receptor F59B2.13	0.0076	0.1411	0.3459
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Schistosoma mansoni	opsin-like receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Schistosoma mansoni	amine GPCR	0.0076	0.1411	0.1348
Brugia malayi	Serotonin receptor	0.0076	0.1411	0.3459
Echinococcus granulosus	neuropeptide Y receptor	0.0076	0.1411	0.4986
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.4281	0.4281
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0076	0.1411	0.1348
Echinococcus granulosus	potassium voltage gated channel protein	0.0089	0.1785	0.6452
Schistosoma mansoni	amine GPCR	0.0076	0.1411	0.1348
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0669	0.0669
Echinococcus granulosus	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0085	0.1669	0.5999
Echinococcus multilocularis	fmrfamide receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0076	0.1411	0.1348
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.1411	0.1348
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0669	0.0669
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0076	0.1411	0.1348
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0076	0.1411	0.3459
Brugia malayi	Melatonin receptor type 1A	0.0076	0.1411	0.3459
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0076	0.1411	0.1348
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.0034	0.0142	0.0142
Schistosoma mansoni	biogenic amine receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	neuropeptide receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Schistosoma mansoni	histamine h1 receptor	0.0076	0.1411	0.1348
Schistosoma mansoni	hypothetical protein	0.0076	0.1411	0.1348
Brugia malayi	putative neuropeptide receptor NPR1	0.0076	0.1411	0.3459
Brugia malayi	DNA polymerase I family protein	0.0119	0.2689	1
Schistosoma mansoni	hypothetical protein	0.0076	0.1411	0.1348
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0076	0.1411	0.4986
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	neuropeptide Y receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	myosin xvIII	0.0076	0.1411	0.1348
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.1411	0.1348
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0076	0.1411	0.4986
Schistosoma mansoni	neuropeptide F-like receptor	0.0076	0.1411	0.1348
Echinococcus granulosus	DNA polymerase subunit gamma	0.0119	0.2689	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0076	0.1411	0.3459
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Brugia malayi	putative neuropeptide receptor	0.0076	0.1411	0.3459
Echinococcus granulosus	g-protein coupled receptor	0.0076	0.1411	0.4986
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0076	0.1411	0.3459
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0076	0.1411	0.4986
Brugia malayi	Dopamine receptor	0.0076	0.1411	0.3459
Echinococcus granulosus	neuropeptide s receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	neuropeptide Y receptor	0.0076	0.1411	0.4986
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0051	0.0669	0.0669
Schistosoma mansoni	neuropeptide receptor	0.0076	0.1411	0.1348
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0076	0.1411	0.4986
Echinococcus multilocularis	neuropeptide s receptor	0.0076	0.1411	0.4986
Brugia malayi	ORL1-like opioid receptor	0.0076	0.1411	0.3459
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Echinococcus multilocularis	g protein coupled receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	DNA polymerase alpha catalytic subunit	0.0066	0.1107	0.3791
Schistosoma mansoni	hypothetical protein	0.0076	0.1411	0.1348
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.1411	0.1348
Echinococcus multilocularis	g protein coupled receptor	0.0076	0.1411	0.4986
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0076	0.1411	0.3459
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0076	0.1411	0.1348
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.1411	0.1348
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0076	0.1411	0.1348
Echinococcus granulosus	serotonin receptor	0.0076	0.1411	0.4986
Echinococcus granulosus	neuropeptide FF receptor 2	0.0076	0.1411	0.4986
Echinococcus multilocularis	neuropeptides capa receptor	0.0076	0.1411	0.4986
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.1003	0.1003
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0076	0.1411	0.4986
Echinococcus multilocularis	serotonin receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	DNA polymerase gamma	0.0119	0.2689	0.2703
Echinococcus multilocularis	allatostatin A receptor	0.0076	0.1411	0.4986
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	g-protein coupled receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	neuropeptide receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Loa Loa (eye worm)	hypothetical protein	0.0119	0.2689	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0076	0.1411	0.4986
Echinococcus granulosus	dro:myosuppressin receptor	0.0076	0.1411	0.4986
Brugia malayi	G-protein coupled receptor	0.0076	0.1411	0.3459
Echinococcus granulosus	tm gpcr rhodopsin	0.0076	0.1411	0.4986
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	serotonin receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	hypothetical protein	0.0119	0.2689	1
Schistosoma mansoni	amine GPCR	0.0076	0.1411	0.1348
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0076	0.1411	0.4986
Echinococcus multilocularis	dro:myosuppressin receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0076	0.1411	0.4986
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0076	0.1411	0.1348
Schistosoma mansoni	adenoreceptor	0.0076	0.1411	0.1348
Echinococcus granulosus	tm gpcr rhodopsin	0.0076	0.1411	0.4986
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0076	0.1411	0.1348
Brugia malayi	RE15519p	0.0076	0.1411	0.3459
Echinococcus granulosus	neuropeptide receptor	0.0076	0.1411	0.4986
Echinococcus multilocularis	neuropeptides capa receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0076	0.1411	0.1348
Brugia malayi	Serotonin receptor	0.0076	0.1411	0.3459
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.0034	0.0142	0.0142
Schistosoma mansoni	opsin-like receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	g protein coupled receptor	0.0076	0.1411	0.4986
Brugia malayi	larval opioid receptor	0.0076	0.1411	0.3459
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0076	0.1411	0.4986
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0076	0.1411	0.1348
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0076	0.1411	0.4986
Echinococcus granulosus	neuropeptide receptor A26	0.0076	0.1411	0.4986
Brugia malayi	hypothetical protein	0.0076	0.1411	0.3459
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0076	0.1411	0.4986
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0076	0.1411	0.4986
Brugia malayi	G-protein coupled receptor	0.0076	0.1411	0.3459
Echinococcus multilocularis	G protein coupled receptor 139	0.0076	0.1411	0.4986
Schistosoma mansoni	biogenic amine receptor	0.0076	0.1411	0.1348
Schistosoma mansoni	hypothetical protein	0.0076	0.1411	0.1348
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0076	0.1411	0.4986
Trypanosoma brucei	ingi protein (ORF1)	0.0029	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1843	0.3382
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.4861	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Giardia lamblia	DNA polymerase alpha subunit A	0.0056	0.0806	1
Trypanosoma brucei	ingi protein (ORF1)	0.0029	0.0003	0.0003
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0076	0.1411	0.3459
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.0034	0.0142	0.0142
Schistosoma mansoni	amine GPCR	0.0076	0.1411	0.1348
Echinococcus granulosus	7TM GPCR rhodopsin	0.0076	0.1411	0.4986
Entamoeba histolytica	DNA repair and recombination protein, putative	0.0034	0.0142	0.5
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0034	0.0142	0.0142
Echinococcus multilocularis	neuropeptide receptor A26	0.0076	0.1411	0.4986
Echinococcus granulosus	g protein coupled receptor	0.0076	0.1411	0.4986
Brugia malayi	neuropeptide F receptor	0.0076	0.1411	0.3459
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Brugia malayi	Dopamine receptor protein 2	0.0076	0.1411	0.3459
Echinococcus granulosus	g protein coupled receptor	0.0076	0.1411	0.4986
Schistosoma mansoni	neuropeptide f receptor 76f	0.0076	0.1411	0.1348
Echinococcus granulosus	7tm_1 domain containing protein	0.0076	0.1411	0.4986
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0076	0.1411	0.4986
Echinococcus granulosus	DNA polymerase alpha catalytic subunit	0.0066	0.1107	0.3791

Activities

Activity type	Activity value	Assay description	Source	Reference
CIC95 (functional)	= 0.25 uM	Antiviral activity against HIV1 infected MT4 cells by p24 core antigen ELISA in presence of 10% FBS	ChEMBL.	17428043
CIC95 (functional)	= 1 uM	Antiviral activity against HIV1 infected MT4 cells by p24 core antigen ELISA in presence of 50% norman human serum	ChEMBL.	17428043
IC50 (binding)	= 0.04 uM	Inhibition of HIV1 integrase strand transfer activity	ChEMBL.	17428043

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: CHEMBL226917

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 423421