TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 666.829 | Formula: C38H42N4O5S
H donors: 2 H acceptors: 5 LogP: 5.2 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CN(c1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N)C
InChi: 1S/C38H42N4O5S/c1-37(2)19-29-34(31(43)21-37)33(23-7-13-26(14-8-23)41(5)6)35-30(20-38(3,4)22-32(35)44)42(29)27-15-9-24(10-16-27)36(45)40-25-11-17-28(18-12-25)48(39,46)47/h7-18,33H,19-22H2,1-6H3,(H,40,45)(H2,39,46,47)
InChiKey: IIFHTVVJFGXJLI-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	carbonic anhydrase II	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase VII	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Get druggable targets OG5_127628	All targets in OG5_127628
Echinococcus granulosus	carbonic anhydrase II	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania braziliensis	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania infantum	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma brucei	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania mexicana	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Loa Loa (eye worm)	carbonic anhydrase 3	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma brucei gambiense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Brugia malayi	Putative carbonic anhydrase 5 precursor	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania major	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Echinococcus multilocularis	carbonic anhydrase II	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania donovani	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	carbonic anhydrase-like protein	carbonic anhydrase I	261 aa	281 aa	25.3 %
Brugia malayi	Carbonic anhydrase like protein 2 precursor	carbonic anhydrase II	260 aa	259 aa	32.0 %
Brugia malayi	Carbonic anhydrase like protein 2 precursor	carbonic anhydrase VII	208 aa	212 aa	33.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0128	0.0601	0.0296
Echinococcus granulosus	dual specificity protein kinase clk2	0.0135	0.0684	0.0907
Trypanosoma brucei	cdc2-related kinase 1	0.0101	0.0273	0.0248
Schistosoma mansoni	serine/threonine protein kinase	0.0135	0.0684	0.0654
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0329	0.3035	0.4023
Echinococcus granulosus	cyclin dependent kinase	0.0101	0.0273	0.0361
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.0271	0.0091
Trypanosoma cruzi	casein kinase II, putative	0.0691	0.7405	1
Brugia malayi	intracellular kinase	0.011	0.0389	0.0189
Trichomonas vaginalis	CMGC family protein kinase	0.0128	0.0601	0.055
Schistosoma mansoni	protein kinase	0.0691	0.7405	0.981
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.011	0.0389	0.0257
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.011	0.0389	0.0252
Plasmodium falciparum	carbonic anhydrase	0.0101	0.0271	0.0093
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.0523	0.0458
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0095	0.0204	0.0271
Entamoeba histolytica	cell division protein kinase 2, putative	0.0101	0.0273	0.0095
Leishmania major	carbonic anhydrase-like protein	0.0328	0.3019	0.3908
Leishmania major	protein kinase, putative	0.0135	0.0684	0.0667
Toxoplasma gondii	CMGC kinase, CK2 family	0.0691	0.7405	1
Schistosoma mansoni	serine/threonine protein kinase	0.0101	0.0273	0.0093
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0101	0.0273	0.0206
Onchocerca volvulus		0.0154	0.0913	0.0734
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0271	0.0204
Echinococcus granulosus	CDC7 cell division cycle 7	0.0128	0.0601	0.0796
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.0271	0.0359
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0329	0.3035	0.2987
Trichomonas vaginalis	CMGC family protein kinase	0.011	0.0389	0.0257
Trichomonas vaginalis	CMGC family protein kinase	0.0101	0.0273	0.0095
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.0271	0.0359
Trichomonas vaginalis	CMGC family protein kinase	0.0128	0.0601	0.055
Echinococcus granulosus	carbonic anhydrase	0.0101	0.0271	0.0359
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0095	0.0204	0.0271
Echinococcus multilocularis	cyclin dependent kinase	0.0101	0.0273	0.0361
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0095	0.0204	0.0271
Echinococcus granulosus	carbonic anhydrase	0.0101	0.0271	0.0359
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.0271	0.0091
Echinococcus multilocularis	rho associated protein kinase	0.0302	0.2711	0.3593
Treponema pallidum	1-deoxy-D-xylulose-5-phosphate synthase	0.0184	0.1275	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0691	0.7405	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0135	0.0684	0.0667
Trichomonas vaginalis	CMGC family protein kinase	0.0691	0.7405	1
Trichomonas vaginalis	CMGC family protein kinase	0.0135	0.0684	0.0667
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.011	0.0389	0.0257
Trichomonas vaginalis	CMGC family protein kinase	0.0128	0.0601	0.055
Schistosoma mansoni	serine/threonine protein kinase	0.0349	0.3268	0.4174
Trypanosoma brucei	protein kinase A catalytic subunit, putative	0.0095	0.0204	0.0155
Trichomonas vaginalis	glutaminase, putative	0.0278	0.2417	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0271	0.0204
Plasmodium falciparum	protein serine/threonine kinase-1	0.0135	0.0684	0.0667
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.0271	0.0068
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0135	0.0684	0.0667
Trichomonas vaginalis	CMGC family protein kinase	0.0691	0.7405	1
Brugia malayi	Protein kinase domain containing protein	0.0135	0.0684	0.049
Trypanosoma cruzi	cdc2-related kinase 3	0.0101	0.0273	0.0095
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate synthase, putative	0.0184	0.1275	0.1486
Schistosoma mansoni	serine/threonine protein kinase	0.0302	0.2711	0.3415
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0271	0.0204
Loa Loa (eye worm)	CDC7 protein kinase	0.0128	0.0601	0.0536
Schistosoma mansoni	serine/threonine protein kinase	0.0101	0.0273	0.0093
Echinococcus multilocularis	homeodomain interacting protein kinase 3	0.0349	0.3268	0.4332
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0101	0.0273	0.0095
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0095	0.0204	0.0271
Giardia lamblia	Kinase, CMGC GSK	0.011	0.0389	0.0257
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0691	0.7405	0.7387
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0328	0.3019	0.2873
Giardia lamblia	Kinase, CDC7	0.0128	0.0601	0.055
Toxoplasma gondii	hypothetical protein	0.0101	0.0271	0.0093
Trypanosoma cruzi	cdc2-related kinase 3	0.0101	0.0273	0.0095
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0329	0.3035	0.4023
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0135	0.0684	0.0667
Giardia lamblia	Kinase, CMGC CDK	0.0101	0.0273	0.0095
Echinococcus multilocularis	CDC7 cell division cycle 7	0.0128	0.0601	0.0796
Trypanosoma brucei	protein kinase, putative	0.011	0.0389	0.0407
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.0167	0.107	0.1419
Toxoplasma gondii	1-deoxy-D-xylulose-5-phosphate synthase	0.0184	0.1275	0.1486
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.011	0.0389	0.0323
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.011	0.0389	0.0323
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0101	0.0271	0.0204
Echinococcus granulosus	carbonic anhydrase	0.0101	0.0271	0.0359
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate synthase Dxs1 (1-deoxyxylulose-5-phosphate synthase) (DXP synthase) (DXPS)	0.0184	0.1275	0.5
Brugia malayi	Protein kinase domain containing protein	0.0329	0.3035	0.289
Leishmania major	protein kinase, putative	0.0135	0.0684	0.0667
Brugia malayi	Protein kinase domain containing protein	0.0128	0.0601	0.0405
Echinococcus multilocularis	cyclin dependent kinase 5	0.0101	0.0273	0.0361
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0135	0.0684	0.0667
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.0271	0.0091
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0101	0.0273	0.0206
Trichomonas vaginalis	CMGC family protein kinase	0.0101	0.0273	0.0095
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0328	0.3019	0.3908
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0095	0.0204	0.0271
Echinococcus multilocularis		0.0134	0.0678	0.0899
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0691	0.7405	1
Giardia lamblia	Kinase, CMGC CK2	0.0691	0.7405	1
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.0134	0.0678	0.0614
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0328	0.3019	0.3834
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 2	0.0095	0.0204	0.0155
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE SYNTHASE DXS1 (1-DEOXYXYLULOSE-5-PHOSPHATE SYNTHASE) (DXP SYNTHASE) (DXPS)	0.0184	0.1275	0.5
Echinococcus multilocularis	carbonic anhydrase II	0.0328	0.3019	0.4001
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0095	0.0204	0.0137
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0135	0.0684	0.062
Echinococcus granulosus	homeodomain interacting protein kinase 3	0.0349	0.3268	0.4332
Echinococcus multilocularis	cyclin dependent kinase 1	0.0101	0.0273	0.0361
Onchocerca volvulus		0.0128	0.0601	0.0296
Giardia lamblia	Kinase, CMGC GSK	0.011	0.0389	0.0257
Brugia malayi	cell division control protein 2 homolog	0.0101	0.0273	0.007
Plasmodium falciparum	glycogen synthase kinase 3	0.011	0.0389	0.0257
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0101	0.0273	0.0361
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.011	0.0389	0.0257
Entamoeba histolytica	protein kinase, putative	0.011	0.0389	0.0257
Loa Loa (eye worm)	CAMK/CAMKL/PASK protein kinase	0.0701	0.7531	0.7514
Brugia malayi	glutaminase DH11.1	0.0278	0.2417	0.2259
Mycobacterium ulcerans	glutaminase	0.0278	0.2417	1
Echinococcus granulosus	rho-associated protein kinase 1	0.0302	0.2711	0.3593
Echinococcus multilocularis	protein kinase shaggy	0.011	0.0389	0.0516
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate synthase	0.0184	0.1275	0.1486
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0328	0.3019	0.2971
Chlamydia trachomatis	1-deoxy-D-xylulose-5-phosphate synthase	0.0184	0.1275	0.5
Echinococcus granulosus	casein kinase ii subunit alpha	0.0691	0.7405	0.9815
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0691	0.7405	1
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.0271	0.0359
Plasmodium falciparum	protein kinase 5	0.0101	0.0273	0.0095
Echinococcus granulosus	carbonic anhydrase II	0.0328	0.3019	0.4001
Loa Loa (eye worm)	glutaminase	0.0278	0.2417	0.2365
Brugia malayi	probable protein kinase	0.0184	0.1275	0.1093
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0329	0.3035	0.3705
Trichomonas vaginalis	CMGC family protein kinase	0.0691	0.7405	1
Schistosoma mansoni	serine/threonine protein kinase	0.0329	0.3035	0.3857
Trichomonas vaginalis	CMGC family protein kinase	0.0691	0.7405	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0101	0.0273	0.0361
Onchocerca volvulus		0.0302	0.2711	0.3251
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0905	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.0271	0.0068
Brugia malayi	Homeodomain interacting protein kinase protein 1	0.0349	0.3268	0.3128
Brugia malayi	MH2 domain containing protein	0.0122	0.0523	0.0325
Trypanosoma cruzi	cdc2-related kinase 1	0.0101	0.0273	0.0095
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0135	0.0684	0.0811
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.0523	0.0458
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0135	0.0684	0.0811
Trichomonas vaginalis	CMGC family protein kinase	0.0101	0.0273	0.0095
Giardia lamblia	Kinase, CMGC CDK	0.0101	0.0273	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0167	0.107	0.1009
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0328	0.3019	0.2873
Trichomonas vaginalis	CMGC family protein kinase	0.011	0.0389	0.0257
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0095	0.0204	0.0271
Schistosoma mansoni	protein kinase	0.0184	0.1275	0.1458
Brugia malayi	hypothetical protein	0.0154	0.0913	0.0724
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.0271	0.0068
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.011	0.0389	0.0516
Entamoeba histolytica	protein kinase domain containing protein	0.0349	0.3268	0.4255
Schistosoma mansoni	serine/threonine protein kinase	0.0128	0.0601	0.054
Entamoeba histolytica	protein kinase domain containing protein	0.011	0.0389	0.0257
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0095	0.0204	0.0271
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0101	0.0273	0.0206
Echinococcus multilocularis		0.0118	0.048	0.0636
Echinococcus multilocularis	microtubule associated protein 2	0.0702	0.7544	1
Trichomonas vaginalis	CMGC family protein kinase	0.0691	0.7405	1
Loa Loa (eye worm)	glutaminase 2	0.0278	0.2417	0.2365
Echinococcus granulosus	microtubule associated protein 2	0.0702	0.7544	1
Trypanosoma brucei	cdc2-related kinase 3	0.0101	0.0273	0.0248
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.0271	0.0068
Trypanosoma brucei	Casein kinase II	0.0691	0.7405	1
Echinococcus granulosus	protein kinase shaggy	0.011	0.0389	0.0516
Echinococcus granulosus	hypothetical protein	0.0118	0.048	0.0636
Leishmania major	casein kinase II, putative	0.0691	0.7405	1
Echinococcus granulosus	protein kinase	0.0134	0.0678	0.0899
Echinococcus granulosus	cyclin dependent kinase 5	0.0101	0.0273	0.0361
Schistosoma mansoni	glutaminase	0.0278	0.2417	0.3015
Schistosoma mansoni	protein kinase	0.0134	0.0678	0.0646
Onchocerca volvulus		0.0701	0.7531	1
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0329	0.3035	0.289
Loa Loa (eye worm)	carbonic anhydrase 3	0.0328	0.3019	0.2971
Giardia lamblia	Kinase, CMGC CLK	0.0135	0.0684	0.0667
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0329	0.3035	0.2987
Entamoeba histolytica	casein kinase, putative	0.0691	0.7405	1
Plasmodium vivax	serine/threonine kinase-1, putative	0.0135	0.0684	0.0667
Schistosoma mansoni	microtubule-associated protein tau	0.0702	0.7544	1
Trypanosoma brucei	carbonic anhydrase-like protein	0.0328	0.3019	0.4003
Onchocerca volvulus		0.0286	0.2507	0.2965
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0101	0.0273	0.0095
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0135	0.0684	0.0907
Loa Loa (eye worm)	CMGC/DYRK/HIPK protein kinase	0.0349	0.3268	0.3222
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0101	0.0273	0.0095
Entamoeba histolytica	protein kinase domain containing protein	0.011	0.0389	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0154	0.0913	0.0851
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0328	0.3019	0.3834
Brugia malayi	Casein kinase II, alpha chain	0.0691	0.7405	0.7351
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0135	0.0684	0.0667
Brugia malayi	Protein kinase domain containing protein	0.0101	0.0273	0.007
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.0271	0.0068
Trichomonas vaginalis	CMGC family protein kinase	0.0691	0.7405	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0204	0.0137
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.011	0.0389	0.0516
Trichomonas vaginalis	CMGC family protein kinase	0.0691	0.7405	1
Plasmodium vivax	unspecified product	0.0691	0.7405	1
Schistosoma mansoni	serine/threonine protein kinase	0.0135	0.0684	0.0654
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0095	0.0204	0.0137
Echinococcus granulosus	cyclin dependent kinase 1	0.0101	0.0273	0.0361
Schistosoma mansoni	hypothetical protein	0.0101	0.0271	0.0091
Plasmodium vivax	protein kinase Crk2	0.0101	0.0273	0.0095
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0328	0.3019	0.3908
Schistosoma mansoni	carbonic anhydrase	0.0101	0.0271	0.0091
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0691	0.7405	0.9815
Plasmodium vivax	glycogen synthase kinase 3, putative	0.011	0.0389	0.0257
Trypanosoma cruzi	cdc2-related kinase 1	0.0101	0.0273	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0118	0.048	0.0415
Entamoeba histolytica	cell division protein kinase 2, putative	0.0101	0.0273	0.0095
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 1	0.0095	0.0204	0.0155

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.096 uM	Inhibition of recombinant human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay	ChEMBL.	23910989
Ki (binding)	= 0.498 uM	Inhibition of recombinant human cytosolic carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay	ChEMBL.	23910989
Ki (binding)	= 9.49 uM	Inhibition of recombinant human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay	ChEMBL.	23910989

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: CHEMBL2419983

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1768141