TDR Targets

Basic information

Technical information

TDR Targets ID: 518973
Name: 4-(2-chlorophenyl)-9-hydroxy-8-(3-pyrrolidin- 1-ylpropoxy)-6H-pyrrolo[3,4-c]carbazole-1,3-d ione
MW: 489.95 | Formula: C27H24ClN3O4
H donors: 3 H acceptors: 3 LogP: 4.93 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cc2c(cc1OCCCN1CCCC1)[nH]c1c2c2c(=O)[nH]c(=O)c2c(c1)c1ccccc1Cl
InChi: 1S/C27H24ClN3O4/c28-18-7-2-1-6-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)35-11-5-10-31-8-3-4-9-31/h1-2,6-7,12-14,29,32H,3-5,8-11H2,(H,30,33,34)
InChiKey: ZBZAZHRMQSACPS-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

4-(2-chlorophenyl)-9-hydroxy-8-[3-(1-pyrrolidinyl)propoxy]-6H-pyrrolo[3,4-c]carbazole-1,3-dione
4-(2-chlorophenyl)-9-hydroxy-8-(3-pyrrolidinopropoxy)-6H-pyrrolo[3,4-c]carbazole-1,3-quinone
4-(2-chlorophenyl)-9-hydroxy-8-(3-1-pyrrolidinylpropoxy)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
4-(2-chlorophenyl)-9-hydroxy-8-(3-pyrrolidin-1-ylpropoxy)-6H-pyrrolo[3,4-c]carbazole-1,3-quinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	checkpoint kinase 1	Starlite/ChEMBL	References
Homo sapiens	WEE1 G2 checkpoint kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma brucei	wee1-like protein kinase	Get druggable targets OG5_129875	All targets in OG5_129875
Schistosoma japonicum	Serine/threonine-protein kinase Chk1, putative	Get druggable targets OG5_130454	All targets in OG5_130454
Trypanosoma brucei gambiense	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_130454	All targets in OG5_130454
Trypanosoma congolense	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma cruzi	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania braziliensis	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma cruzi	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania donovani	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Leishmania infantum	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma cruzi	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania mexicana	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Leishmania braziliensis	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania mexicana	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania infantum	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania donovani	protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875

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
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0.0181	0.0031
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.082	0.082
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0181	0.0181
Echinococcus granulosus	thymidylate kinase	0.0078	0.1965	0.1965
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0048	0.1106	0.1106
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1169	0.1626
Toxoplasma gondii	exonuclease III APE	0.0019	0.0227	0.0261
Schistosoma mansoni	thymidylate kinase	0.0078	0.1965	0.1965
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.074	0.09
Trypanosoma brucei	ISWI complex protein	0.0016	0.0165	0.001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.045	0.0514
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.074	0.09
Schistosoma mansoni	ap endonuclease	0.0019	0.0227	0.0227
Brugia malayi	hypothetical protein	0.0039	0.0822	0.1143
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.1211	0.1684
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0016	0.0158	0.0219
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0051	0.1169	0.1169
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.1575	0.1575
Leishmania major	hypothetical protein, conserved	0.003	0.0576	0.0562
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0532	0.0623
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.003	0.0576	0.0562
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0.0181	0.0031
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0252	0.7109	0.989
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0039	0.0815	0.0883
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.074	0.09
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0181	0.0031
Trichomonas vaginalis	thymidylate kinase, putative	0.0078	0.1965	0.2523
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.002	0.0272	0.0153
Brugia malayi	thymidylate kinase	0.0078	0.1965	0.2733
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0592	0.0592
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0532	0.0623
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.082	0.082
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0181	0.0181
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0822	0.0822
Echinococcus multilocularis	thymidylate kinase	0.0078	0.1965	0.1965
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.074	0.09
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.003	0.0576	0.0562
Brugia malayi	follicle stimulating hormone receptor	0.0252	0.7109	0.989
Trichomonas vaginalis	thymidylate kinase, putative	0.0078	0.1965	0.2523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.074	0.09
Echinococcus multilocularis	geminin	0.035	1	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0627	0.0627
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0158	0.0127
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0016	0.0158	0.0158
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0048	0.1106	0.1274
Entamoeba histolytica	hypothetical protein	0.0039	0.0822	0.0805
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0227	0.0261
Trypanosoma cruzi	thymidine kinase, putative	0.0269	0.7605	1
Loa Loa (eye worm)	thymidylate kinase	0.0078	0.1965	0.2733
Brugia malayi	Protein kinase domain containing protein	0.0203	0.5647	0.7856
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0227	0.0227
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0203	0.5647	0.7856
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0165	0.001
Brugia malayi	PHD-finger family protein	0.0027	0.047	0.0654
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0181	0.0181
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0048	0.1106	0.1191
Giardia lamblia	Thymidine kinase	0.0269	0.7605	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0048	0.1106	0.1274
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0069	0.1721	0.2099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0158	0.0127
Mycobacterium tuberculosis	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)	0.0078	0.1965	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0395	0.0395
Echinococcus multilocularis	survival motor neuron protein 1	0.0255	0.7188	0.7188
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0181	0.0181
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0227	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0898	0.1249
Schistosoma mansoni	hypothetical protein	0.0039	0.0822	0.0822
Entamoeba histolytica	hypothetical protein	0.0039	0.0822	0.0805
Schistosoma mansoni	hypothetical protein	0.0078	0.1965	0.1965
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0181	0.0251
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0395	0.0395
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0227	0.0261
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0181	0.0251
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0048	0.1106	0.1274
Trypanosoma cruzi	thymidine kinase, putative	0.0269	0.7605	1
Loa Loa (eye worm)	bromodomain containing protein	0.0019	0.024	0.0334
Giardia lamblia	CDC8	0.0078	0.1965	0.2355
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0627	0.0627
Schistosoma mansoni	zinc finger protein	0.0016	0.0165	0.0165
Trypanosoma brucei	thymidylate kinase, putative	0.0078	0.1965	0.2427
Brugia malayi	hypothetical protein	0.0255	0.7188	1
Plasmodium vivax	thymidylate kinase, putative	0.0078	0.1965	1
Trichomonas vaginalis	thymidine kinase, putative	0.0269	0.7605	1
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0165	0.001
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0822	0.0822
Entamoeba histolytica	Thymidylate kinase, putative	0.0078	0.1965	0.2355
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.045	0.0514
Plasmodium vivax	SET domain protein, putative	0.0032	0.0627	0.2501
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.074	0.09
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0627	0.2501
Onchocerca volvulus		0.0032	0.0627	0.0871
Trypanosoma brucei	wee1-like protein kinase	0.0069	0.1721	0.2099
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0048	0.1106	0.1274
Loa Loa (eye worm)	phosphatidylinositol 3	0.0048	0.1106	0.1539
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.1575	0.1575
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0018	0.0221	0.0221
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0227	0.0094
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0221	0.0221
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0227	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0255	0.7188	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0181	0.0181
Treponema pallidum	thymidylate kinase (tmk)	0.0078	0.1965	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0227	0.0227
Schistosoma mansoni	zinc finger protein	0.0021	0.0301	0.0301
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0051	0.1169	0.1169
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0018	0.0221	0.0221
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0605	0.0721
Schistosoma mansoni	hypothetical protein	0.035	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0227	0.0219
Echinococcus granulosus	histone lysine methyltransferase setb	0.0051	0.1169	0.1169
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0069	0.1721	0.2099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0897	0.1108
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0814	0.0997
Entamoeba histolytica	hypothetical protein	0.0039	0.0822	0.0805
Schistosoma mansoni	survival motor neuron protein	0.0052	0.1211	0.1211
Onchocerca volvulus	Putative thymidylate kinase	0.0078	0.1965	0.2728
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0048	0.1106	0.1191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.1106	0.1384
Trypanosoma cruzi	target of rapamycin kinase 3	0.0039	0.0815	0.0883
Mycobacterium ulcerans	thymidylate kinase	0.0078	0.1965	1
Schistosoma mansoni	hypothetical protein	0.0052	0.1211	0.1211
Trypanosoma brucei	thymidylate kinase, putative	0.0078	0.1965	0.2427
Trichomonas vaginalis	thymidine kinase, putative	0.0269	0.7605	1
Trypanosoma brucei	thymidine kinase	0.0269	0.7605	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.1106	0.1384
Schistosoma mansoni	hypothetical protein	0.0016	0.0165	0.0165
Leishmania major	thymidylate kinase-like protein	0.0078	0.1965	0.2427
Leishmania major	thymidine kinase, putative	0.0269	0.7605	1
Brugia malayi	Bromodomain containing protein	0.0041	0.0895	0.1245
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.0078	0.1965	1
Echinococcus multilocularis	zinc finger protein	0.0021	0.0301	0.0301
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0627	0.0627
Schistosoma mansoni	hypothetical protein	0.0022	0.0334	0.0334
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0181	0.0251
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.045	0.0514
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0181	0.0181
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0523	0.0612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.045	0.0514
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0814	0.0997
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0048	0.1106	0.1106
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0636	0.0761
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0221	0.0221
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0814	0.0997
Schistosoma mansoni	hypothetical protein	0.0056	0.1321	0.1321
Schistosoma mansoni	ap endonuclease	0.0019	0.0227	0.0227
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0048	0.1106	0.1274
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0039	0.0815	0.0883
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0227	0.0094
Entamoeba histolytica	hypothetical protein	0.0039	0.0822	0.0805
Schistosoma mansoni	thymidylate kinase	0.0078	0.1965	0.1965
Brugia malayi	Pre-SET motif family protein	0.0032	0.0627	0.0872
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0448	0.0512
Chlamydia trachomatis	thymidylate kinase	0.0078	0.1965	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0048	0.1106	0.1106
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1925	0.2678
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0158	0.0127
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0227	0.0094
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0069	0.1721	0.2099
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0023	0.0354	0.0264
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.1106	0.1384
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0814	0.0997
Trichomonas vaginalis	thymidine kinase, putative	0.0269	0.7605	1
Brugia malayi	Pre-SET motif family protein	0.0224	0.6288	0.8748
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0069	0.1721	0.2099
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0395	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1033	0.1438
Plasmodium falciparum	thymidylate kinase	0.0078	0.1965	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0016	0.0158	0.0158
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0227	0.0094
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0069	0.1721	0.2099
Schistosoma mansoni	hypothetical protein	0.035	1	1
Leishmania major	hypothetical protein, conserved	0.0016	0.0165	0.001
Trichomonas vaginalis	set domain proteins, putative	0.0255	0.7201	0.9465
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0822	0.0822
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0181	0.0031
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0523	0.0612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0448	0.0512
Onchocerca volvulus		0.0052	0.1211	0.1681
Trypanosoma cruzi	thymidylate kinase, putative	0.0078	0.1965	0.2427
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0448	0.0512
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0158	0.0127
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0181	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0973	0.1353
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0048	0.1106	0.1274
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0227	0.0261
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0016	0.0158	0.0158
Echinococcus granulosus	survival motor neuron protein 1	0.0255	0.7188	0.7188
Brugia malayi	Bromodomain containing protein	0.0081	0.2061	0.2867
Schistosoma mansoni	serine/threonine protein kinase	0.0203	0.5647	0.5647
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0227	0.0316
Mycobacterium leprae	probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK)	0.0078	0.1965	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.074	0.09
Loa Loa (eye worm)	phosphatidylinositol 3	0.0016	0.0158	0.0219
Trypanosoma cruzi	thymidylate kinase, putative	0.0078	0.1965	0.2427
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0334	0.0465
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0532	0.0623
Onchocerca volvulus		0.0255	0.7201	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0158	0.0127
Echinococcus granulosus	zinc finger protein	0.0021	0.0301	0.0301
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0036	0.074	0.3137
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0048	0.1106	0.1539
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0224	0.6288	0.8748
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0814	0.0997
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0181	0.0031
Entamoeba histolytica	thymidine kinase, putative	0.0269	0.7605	1
Giardia lamblia	GTOR	0.0048	0.1106	0.1191
Schistosoma mansoni	bromodomain containing protein	0.0068	0.1689	0.1689
Toxoplasma gondii	thymidylate kinase	0.0078	0.1965	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0051	0.1169	0.1169

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10 nM	Inhibition of Chk1 (unknown origin)	ChEMBL.	18191399
IC50 (binding)	= 10 nM	Inhibition of Chk1 (unknown origin)	ChEMBL.	18191399
IC50 (binding)	= 35 nM	Inhibition of human Wee1	ChEMBL.	18191399
IC50 (binding)	= 35 nM	Inhibition of human Wee1	ChEMBL.	18191399
pKa	= 10.5	Dissociation constant, pKa of the compound	ChEMBL.	18191399

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: CHEMBL271071
PubChem: 21980353

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 518973