TDR Targets

Basic information

Technical information

TDR Targets ID: 1052586
Name: aza-1,7-annulated indole deriv. 12c
MW: 434.85 | Formula: C23H16ClFN4O2
H donors: 3 H acceptors: 2 LogP: 3.58 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1n1CCNCc3c1c2ccc3.Cl
InChi: 1S/C23H15FN4O2.ClH/c24-11-4-5-12-14(8-11)26-19-15(12)17-18(23(30)27-22(17)29)16-13-3-1-2-10-9-25-6-7-28(20(10)13)21(16)19;/h1-5,8,25-26H,6-7,9H2,(H,27,29,30);1H
InChiKey: VWFXMTSPJZAAEA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	cyclin D1	Starlite/ChEMBL	References
Homo sapiens	cyclin E2	Starlite/ChEMBL	References

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	beta-lactamase family protein	0.0041	0.0023	0.0034
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0043	0.0025	0.0025
Trypanosoma brucei	mitotic cyclin 6	0.0043	0.0025	0.0171
Echinococcus multilocularis	cyclins	0.0043	0.0025	0.0025
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.0014	0.0022
Echinococcus granulosus	lamin	0.0031	0.0006	0.0006
Echinococcus multilocularis	carbonic anhydrase	0.0439	0.0665	0.0665
Schistosoma mansoni	cyclin B	0.0043	0.0025	0.0065
Echinococcus granulosus	cyclin b3	0.0043	0.0025	0.0025
Onchocerca volvulus		0.1712	0.2719	0.4469
Echinococcus multilocularis	cyclins	0.0043	0.0025	0.0025
Echinococcus multilocularis	cyclins	0.0043	0.0025	0.0025
Onchocerca volvulus		0.0031	0.0006	0.001
Trypanosoma brucei	carbonic anhydrase-like protein	0.0935	0.1465	1
Onchocerca volvulus	Matrix metalloproteinase homolog	0.3798	0.6083	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0014	0.0037
Loa Loa (eye worm)	hypothetical protein	0.004	0.0021	0.0032
Loa Loa (eye worm)	matrixin family protein	0.3798	0.6083	0.9168
Echinococcus multilocularis	GPCR, family 2	0.0036	0.0014	0.0014
Echinococcus granulosus	carbonic anhydrase	0.0439	0.0665	0.0665
Trichomonas vaginalis	cyclin B, putative	0.0043	0.0025	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0023	0.0058
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0023	0.8982
Schistosoma mansoni	hypothetical protein	0.2428	0.3873	1
Echinococcus granulosus	cyclins	0.0043	0.0025	0.0025
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0043	0.0025	0.0038
Schistosoma mansoni	cyclins	0.0043	0.0025	0.0065
Brugia malayi	MH2 domain containing protein	0.0137	0.0177	0.0267
Echinococcus granulosus	cyclin B	0.0043	0.0025	0.0025
Brugia malayi	Nematode astacin protease protein 30	0.004	0.0021	0.0032
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.6226	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.0439	0.0665	0.1716
Echinococcus granulosus	cyclins	0.0043	0.0025	0.0025
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0935	0.1465	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0935	0.1465	0.2207
Onchocerca volvulus	Putative cubilin	0.0038	0.0017	0.0028
Echinococcus multilocularis	laminin	0.0104	0.0124	0.0124
Onchocerca volvulus		0.2428	0.3873	0.6367
Giardia lamblia	G2/mitotic-specific cyclin B	0.0043	0.0025	0.5
Echinococcus multilocularis	carbonic anhydrase	0.0439	0.0665	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0023	0.0034
Mycobacterium ulcerans	lipase LipD	0.0041	0.0023	0.0068
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0023	0.8982
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0043	0.0025	0.0038
Brugia malayi	Matrixin family protein	0.1712	0.2719	0.4097
Echinococcus multilocularis	cyclin b3	0.0043	0.0025	0.0025
Toxoplasma gondii	ABC1 family protein	0.0041	0.0023	0.0215
Brugia malayi	intermediate filament protein	0.0031	0.0006	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0025	1
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.1712	0.2719	0.7019
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0023	0.0058
Trichomonas vaginalis	cyclins, putative	0.0043	0.0025	1
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0023	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0309	0.0455	0.0686
Schistosoma mansoni	hypothetical protein	0.0078	0.0082	0.0212
Brugia malayi	Matrixin family protein	0.1712	0.2719	0.4097
Brugia malayi	Nematode astacin protease protein 30	0.004	0.0021	0.0032
Schistosoma mansoni	cyclin B3	0.0043	0.0025	0.0065
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0439	0.0665	0.1002
Schistosoma mansoni	lamin	0.0031	0.0006	0.0015
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0023	0.0023
Echinococcus multilocularis	musashi	0.0031	0.0006	0.0006
Brugia malayi	astacin protease protein 30	0.004	0.0021	0.0032
Brugia malayi	Matrixin family protein	0.1712	0.2719	0.4097
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0023	0.0068
Schistosoma mansoni	polycystin 1-related	0.0322	0.0476	0.1229
Echinococcus multilocularis	cyclins	0.0043	0.0025	0.0025
Onchocerca volvulus		0.0043	0.0025	0.0042
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0093	0.0107	0.0161
Entamoeba histolytica	cyclin, putative	0.0043	0.0025	1
Echinococcus multilocularis	lamin	0.0031	0.0006	0.0006
Brugia malayi	zinc metalloproteinase toh-2 precursor	0.004	0.0021	0.0032
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0006	0.0009
Echinococcus multilocularis	Tolloid protein 1	0.0322	0.0476	0.0476
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0006	0.0009
Echinococcus granulosus	muscleblind protein	0.0171	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.1712	0.2719	0.4097
Echinococcus granulosus	intermediate filament protein	0.0031	0.0006	0.0006
Loa Loa (eye worm)	AStacin protease	0.0201	0.0281	0.0424
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.1342	0.2121	0.5477
Echinococcus granulosus	carbonic anhydrase	0.0439	0.0665	0.0665
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0043	0.0025	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0171	0.0232	0.035
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.0014	0.0014
Echinococcus granulosus	cyclins	0.0043	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.1712	0.2719	0.4097
Leishmania major	hypothetical protein, conserved	0.0041	0.0023	0.0155
Trichomonas vaginalis	cyclin D, putative	0.0043	0.0025	1
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0006	0.0015
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0023	0.8982
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0023	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0168	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0006	0.0009
Brugia malayi	beta-lactamase family protein	0.0041	0.0023	0.0034
Onchocerca volvulus		0.004	0.0021	0.0035
Echinococcus granulosus	cyclins	0.0043	0.0025	0.0025
Echinococcus granulosus	cyclins	0.0043	0.0025	0.0025
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0104	0.0124	0.1756
Trichomonas vaginalis	cyclin D, putative	0.0043	0.0025	1
Echinococcus granulosus	cyclin B3 1	0.0043	0.0025	0.0025
Brugia malayi	Matrixin family protein	0.1712	0.2719	0.4097
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0935	0.1465	0.3782
Mycobacterium tuberculosis	Probable hydrolase	0.0041	0.0023	0.0068
Loa Loa (eye worm)	zinc metalloproteinase toh-2	0.004	0.0021	0.0032
Toxoplasma gondii	hypothetical protein	0.0439	0.0665	1
Onchocerca volvulus		0.0031	0.0006	0.001
Leishmania major	cyclin	0.0043	0.0025	0.0173
Schistosoma mansoni	hypothetical protein	0.0036	0.0014	0.0037
Mycobacterium tuberculosis	Probable lipase LipD	0.0041	0.0023	0.0068
Onchocerca volvulus		0.0041	0.0023	0.0037
Brugia malayi	Zinc metalloproteinase toh-2 precursor	0.004	0.0021	0.0032
Onchocerca volvulus		0.0041	0.0023	0.0037
Echinococcus multilocularis	cyclins	0.0043	0.0025	0.0025
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0264	0.0382	0.1149
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0023	0.0034
Loa Loa (eye worm)	MH2 domain-containing protein	0.0137	0.0177	0.0267
Brugia malayi	Hemopexin family protein	0.2428	0.3873	0.5837
Loa Loa (eye worm)	matrix metalloproteinase	0.1712	0.2719	0.4097
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0124	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0439	0.0665	0.1002
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0107	0.0161
Entamoeba histolytica	cyclin family protein	0.0043	0.0025	1
Schistosoma mansoni	carbonic anhydrase-related	0.0439	0.0665	0.1716
Trypanosoma cruzi	cyclin, putative	0.0043	0.0025	0.0171
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0935	0.1465	0.2207
Echinococcus granulosus	carbonic anhydrase	0.0439	0.0665	0.0665
Onchocerca volvulus		0.0041	0.0023	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0107	0.0161
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0023	0.0154
Schistosoma mansoni	hypothetical protein	0.0439	0.0665	0.1716
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0038
Loa Loa (eye worm)	hypothetical protein	0.003	0.0005	0.0008
Mycobacterium ulcerans	hydrolase	0.2086	0.3321	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.0023	0.0068
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.0014	0.0022
Schistosoma mansoni	lamin	0.0031	0.0006	0.0015
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0041	0.0023	0.0068
Echinococcus granulosus	laminin	0.0104	0.0124	0.0124
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0041	0.0023	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0017	0.0026
Entamoeba histolytica	cyclin family protein	0.0043	0.0025	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0014	0.0022
Wolbachia endosymbiont of Brugia malayi	extracellular metallopeptidase	0.3667	0.5871	0.5
Echinococcus multilocularis	fibrillin 1	0.0104	0.0124	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0141	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0439	0.0665	0.1002
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0023	0.0034
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0104	0.0124	0.0187
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.0014	0.0014
Giardia lamblia	Cyclin A	0.0043	0.0025	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0023	0.0034
Schistosoma mansoni	hypothetical protein	0.0036	0.0014	0.0037
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0023	0.0023
Loa Loa (eye worm)	cyclin domain-containing protein	0.0043	0.0025	0.0038
Echinococcus multilocularis	muscleblind protein	0.0171	0.0232	0.0232
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0935	0.1465	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.0232	0.035
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0082	0.0124
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0114	0.0141	0.0212
Brugia malayi	Matrixin family protein	0.414	0.6635	1
Trichomonas vaginalis	cyclin B3, putative	0.0043	0.0025	1
Loa Loa (eye worm)	hypothetical protein	0.1712	0.2719	0.4097
Loa Loa (eye worm)	hypothetical protein	0.0439	0.0665	0.1002
Plasmodium falciparum	carbonic anhydrase	0.0439	0.0665	1
Leishmania major	carbonic anhydrase-like protein	0.0935	0.1465	1
Mycobacterium leprae	PROBABLE HYDROLASE	0.2086	0.3321	1
Trichomonas vaginalis	cyclins, putative	0.0043	0.0025	1
Echinococcus multilocularis	muscleblind protein 1	0.0171	0.0232	0.0232
Brugia malayi	Muscleblind-like protein	0.0171	0.0232	0.035
Loa Loa (eye worm)	transcription factor SMAD2	0.0137	0.0177	0.0267
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0439	0.0665	0.1002
Mycobacterium tuberculosis	Probable lipase LipE	0.0041	0.0023	0.0068
Echinococcus multilocularis	lamin dm0	0.0031	0.0006	0.0006
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0114	0.0141	0.0212
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0023	0.0068
Trichomonas vaginalis	esterase, putative	0.0041	0.0023	0.8982
Trichomonas vaginalis	cyclins, putative	0.0043	0.0025	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0023	0.0034
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0023	0.0154
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0006	0.0009
Echinococcus multilocularis	cyclin B3 1	0.0043	0.0025	0.0025
Echinococcus multilocularis	cyclin B	0.0043	0.0025	0.0025
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0043	0.0025	0.0038
Trichomonas vaginalis	cyclins, putative	0.0043	0.0025	1
Trichomonas vaginalis	cyclin B, putative	0.0043	0.0025	1
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0043	0.0025	0.0173
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.2086	0.3321	1
Trichomonas vaginalis	cyclin A, putative	0.0043	0.0025	1
Schistosoma mansoni	carbonic anhydrase-related	0.0439	0.0665	0.1716
Schistosoma mansoni	hypothetical protein	0.0036	0.0014	0.0037
Echinococcus granulosus	GPCR family 2	0.0036	0.0014	0.0014
Trichomonas vaginalis	cyclin B, putative	0.0043	0.0025	1
Onchocerca volvulus	Matrilysin homolog	0.1712	0.2719	0.4469
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0023	0.0068
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0023	0.0034
Echinococcus multilocularis	cyclins	0.0043	0.0025	0.0025
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0043	0.0025	0.0025
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0023	0.8982
Echinococcus multilocularis	carbonic anhydrase	0.0439	0.0665	0.0665
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0439	0.0665	0.1002
Echinococcus granulosus	carbonic anhydrase II	0.0935	0.1465	0.1465
Loa Loa (eye worm)	matrixin family protein	0.414	0.6635	1
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0023	0.0068
Loa Loa (eye worm)	hypothetical protein	0.2086	0.3321	0.5004
Trypanosoma cruzi	cyclin 6, putative	0.0043	0.0025	0.0171
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0439	0.0665	0.1002
Echinococcus granulosus	lamin dm0	0.0031	0.0006	0.0006
Schistosoma mansoni	carbonic anhydrase	0.0439	0.0665	0.1716
Loa Loa (eye worm)	carbonic anhydrase 3	0.0935	0.1465	0.2207
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0023	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.0014	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0023	0.0034
Mycobacterium ulcerans	beta-lactamase	0.0041	0.0023	0.0068
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0114	0.0141	0.0212
Onchocerca volvulus	Matrilysin homolog	0.3798	0.6083	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0038	0.0017	0.0026
Brugia malayi	Fibulin-1 precursor	0.0104	0.0124	0.0187
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0023	0.8982
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.0014	0.0014
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0041	0.0023	0.0068
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0023	0.0154
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0093	0.0107	0.0161
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.0014	0.0014
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0935	0.1465	0.3782
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0935	0.1465	0.2207
Echinococcus multilocularis	cyclins	0.0043	0.0025	0.0025
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.0023	0.0068
Brugia malayi	beta-lactamase	0.0041	0.0023	0.0034
Echinococcus granulosus	Tolloid protein 1	0.0322	0.0476	0.0476
Giardia lamblia	Hypothetical protein	0.0043	0.0025	0.5
Trichomonas vaginalis	cyclin B, putative	0.0043	0.0025	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0023	0.0034
Onchocerca volvulus	Arrow homolog	0.0093	0.0107	0.0176
Schistosoma mansoni	egf-like domain protein	0.0093	0.0107	0.0276
Mycobacterium tuberculosis	Probable esterase LipL	0.0041	0.0023	0.0068
Brugia malayi	latrophilin 2 splice variant baaae	0.0078	0.0082	0.0124
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0322	0.0476	0.0717
Loa Loa (eye worm)	DPY-31 protein	0.004	0.0021	0.0032
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0322	0.0476	0.1229
Trypanosoma cruzi	cyclin, putative	0.0043	0.0025	0.0171
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0439	0.0665	0.1002
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0439	0.0665	0.1002
Echinococcus multilocularis	carbonic anhydrase II	0.0935	0.1465	0.1465
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.2086	0.3321	0.5004
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0104	0.0124	0.1756
Trichomonas vaginalis	cyclin B, putative	0.0043	0.0025	1
Entamoeba histolytica	cyclin, putative	0.0043	0.0025	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0104	0.0124	0.0187
Trichomonas vaginalis	cyclins, putative	0.0043	0.0025	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0023	0.0034

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.01 uM	Inhibition of Cyclin E-cyclin-dependent kinase 2	ChEMBL.	15225699
IC50 (binding)	= 0.03 uM	Inhibition of Cyclin D1-cyclin-dependent kinase 4	ChEMBL.	15225699
IC50 (functional)	= 0.2 uM	Antiproliferative activity was tested in human HCT-116 (colon) cell line	ChEMBL.	15225699

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15225699

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: CHEMBL558586

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 1052586