TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 263.683 | Formula: C11H10ClN5O
H donors: 1 H acceptors: 1 LogP: 1.32 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)N1CCn2c1n[nH]c(=O)c2=N
InChi: 1S/C11H10ClN5O/c12-7-1-3-8(4-2-7)16-5-6-17-9(13)10(18)14-15-11(16)17/h1-4,13H,5-6H2,(H,14,18)
InChiKey: RGIAKZWDDZNLPO-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	cytochrome P450	0.0098	0.2124	0.0989
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0098	0.2124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	G protein coupled receptor 139	0.0064	0.1259	0.5929
Echinococcus multilocularis	neuropeptide receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0214	0.5049	0.5049
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	fmrfamide receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	G protein coupled receptor 139	0.0064	0.1259	0.5929
Trypanosoma brucei	cytochrome P450, putative	0.0125	0.2803	1
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0098	0.2124	0.5
Schistosoma mansoni	cytochrome P450	0.0098	0.2124	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0125	0.2803	0.2803
Echinococcus granulosus	neuropeptide FF receptor 2	0.0064	0.1259	0.5929
Mycobacterium leprae	putative cytochrome p450	0.0098	0.2124	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0098	0.2124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Echinococcus multilocularis	neuropeptides capa receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	hypothetical protein	0.0064	0.1259	0.5929
Echinococcus granulosus	g protein coupled receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	biogenic amine 5HT receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0064	0.1259	0.5929
Echinococcus granulosus	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0098	0.2124	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0064	0.1259	0.5929
Echinococcus multilocularis	neuropeptide s receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	G-protein coupled receptor	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0098	0.2124	0.5
Loa Loa (eye worm)	cytochrome P450	0.0098	0.2124	0.2124
Echinococcus multilocularis		0.0098	0.2124	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0098	0.2124	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0125	0.2803	0.2803
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0027	0.032	0.032
Loa Loa (eye worm)	melatonin receptor type 1A	0.0064	0.1259	0.1259
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0064	0.1259	0.5929
Trypanosoma cruzi	cytochrome P450, putative	0.0125	0.2803	1
Echinococcus multilocularis	fmrfamide receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Echinococcus multilocularis	sex peptide receptor	0.0064	0.1259	0.5929
Trypanosoma cruzi	cytochrome P450, putative	0.0125	0.2803	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	7tm_1 domain containing protein	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	neuropeptides capa receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	biogenic amine 5HT receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	g protein coupled receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0064	0.1259	0.1259
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0064	0.1259	0.1259
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0064	0.1259	0.5929
Echinococcus granulosus	g protein coupled receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	cytochrome P450 family protein	0.041	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Echinococcus granulosus	tm gpcr rhodopsin	0.0064	0.1259	0.5929
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0098	0.2124	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0098	0.2124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0098	0.2124	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0064	0.1259	0.5929
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0098	0.2124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	neuropeptide Y receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Loa Loa (eye worm)	neuropeptide F receptor	0.0064	0.1259	0.1259
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0098	0.2124	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	neuropeptides capa receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	serotonin receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0064	0.1259	0.5929
Echinococcus granulosus	neuropeptide receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	neuropeptide receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	G-protein coupled receptor	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0098	0.2124	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0064	0.1259	0.5929
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0098	0.2124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0098	0.2124	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	dro:myosuppressin receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	neuropeptide Y receptor	0.0064	0.1259	0.5929
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0125	0.2803	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0098	0.2124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0064	0.1259	0.1259
Brugia malayi	Cytochrome P450 family protein	0.0125	0.2803	0.1766
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	cytochrome P450 2K1	0.0098	0.2124	1
Schistosoma mansoni	hypothetical protein	0.0098	0.2124	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Echinococcus multilocularis	allatostatin A receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0072	0.1464	0.6893
Echinococcus granulosus	allatostatin A receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	7TM GPCR rhodopsin	0.0064	0.1259	0.5929
Echinococcus multilocularis	neuropeptide Y receptor	0.0064	0.1259	0.5929
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0098	0.2124	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0064	0.1259	0.1259
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0098	0.2124	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0064	0.1259	0.1259
Echinococcus multilocularis	serotonin receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0064	0.1259	0.5929
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0098	0.2124	0.5
Leishmania major	cytochrome p450-like protein	0.0125	0.2803	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Brugia malayi	cyclic AMP-response element binding protein 1 gamma 1, putative	0.0214	0.5049	0.4336
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	neuropeptide Y receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	tm gpcr rhodopsin	0.0064	0.1259	0.5929
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0064	0.1259	0.5929
Echinococcus granulosus	sex peptide receptor	0.0064	0.1259	0.5929
Brugia malayi	Cytochrome P450 family protein	0.0098	0.2124	0.0989
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0064	0.1259	0.5929
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0098	0.2124	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	neuropeptides capa receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Echinococcus granulosus	fmrfamide receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	serotonin receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	g protein coupled receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	orexin receptor type 2	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0064	0.1259	0.5929
Echinococcus multilocularis	neuropeptide receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	neuropeptide s receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	somatostatin receptor	0.0064	0.1259	0.5929
Echinococcus granulosus	neuropeptide receptor A26	0.0064	0.1259	0.5929
Echinococcus granulosus	g protein coupled receptor	0.0064	0.1259	0.5929
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0098	0.2124	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.0064	0.1259	0.5929
Brugia malayi	Cytochrome P450 family protein	0.0125	0.2803	0.1766
Loa Loa (eye worm)	neuropeptide F receptor	0.0064	0.1259	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus granulosus	g-protein coupled receptor	0.0064	0.1259	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0098	0.2124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	somatostatin receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0064	0.1259	0.5929
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0064	0.1259	0.5929
Mycobacterium leprae	Conserved hypothetical protein	0.0098	0.2124	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.0064	0.1259	0.1259
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0064	0.1259	0.5929
Echinococcus multilocularis	orexin receptor type 2	0.0064	0.1259	0.5929
Loa Loa (eye worm)	CYP4Cod1	0.0125	0.2803	0.2803
Onchocerca volvulus		0.0214	0.5049	1
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0072	0.1464	0.6893

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 64 %	Cell viability in human RPMI 8226 ECACC 87012702 cancer cells at 100 uM after 24 hrs by MTT assay	ChEMBL.	17331732
Activity (functional)	= 64 %	Cell viability in human RPMI 8226 ECACC 87012702 cancer cells at 100 uM after 24 hrs by MTT assay	ChEMBL.	17331732
Activity (functional)	= 74 %	Cell viability in HSF cells at 100 uM after 24 hrs by MTT assay	ChEMBL.	17331732
Activity (functional)	= 76 %	Cell viability in human RPMI 8226 ECACC 87012702 cancer cells at 50 uM after 24 hrs by MTT assay	ChEMBL.	17331732
Activity (functional)	= 76 %	Cell viability in human RPMI 8226 ECACC 87012702 cancer cells at 50 uM after 24 hrs by MTT assay	ChEMBL.	17331732
Activity (ADMET)	= 84 %	Cell viability in HSF cells at 50 uM after 24 hrs by MTT assay	ChEMBL.	17331732
Activity (functional)	= 94 %	Cell viability in human RPMI 8226 ECACC 87012702 cancer cells at 1 uM after 24 hrs by MTT assay	ChEMBL.	17331732
Activity (functional)	= 94 %	Cell viability in human RPMI 8226 ECACC 87012702 cancer cells at 1 uM after 24 hrs by MTT assay	ChEMBL.	17331732
Activity (ADMET)	= 98 %	Cell viability in HSF cells at 1 uM after 24 hrs by MTT assay	ChEMBL.	17331732
Inhibition (ADMET)	= 0 %	Cytotoxicity against Vero cells at 10 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (ADMET)	= 0 %	Cytotoxicity against Vero cells at 50 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 0 %	Cytotoxicity against human LS180 cells at 10 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 0 %	Cytotoxicity against human HeLa cells at 50 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 0 %	Cytotoxicity against human HeLa cells at 50 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 5 %	Cytotoxicity against human LS180 cells at 50 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 8 %	Cytotoxicity against human HeLa cells at 10 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 8 %	Cytotoxicity against human HeLa cells at 10 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 16 %	Cytotoxicity against human T47D cells at 10 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 16 %	Cytotoxicity against human T47D cells at 10 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 25 %	Anticancer activity against human A549 cells at 10 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 25 %	Anticancer activity against human A549 cells at 10 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 27 %	Cytotoxicity against human T47D cells at 50 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 27 %	Anticancer activity against human A549 cells at 50 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 27 %	Cytotoxicity against human T47D cells at 50 ug/ml after 72 hrs	ChEMBL.	17331732
Inhibition (functional)	= 27 %	Anticancer activity against human A549 cells at 50 ug/ml after 72 hrs	ChEMBL.	17331732
LD50 (ADMET)		Acute toxicity in mouse	ChEMBL.	17331732
LD50 (ADMET)	0	Acute toxicity in mouse	ChEMBL.	17331732

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: CHEMBL392202

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 437227