Detailed information for compound 597443

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 614.993 | Formula: C31H34Cl3N5O2
  • H donors: 3 H acceptors: 4 LogP: 6.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)CN1CCC(CC1)C(=O)NCC(c1[nH]c(c(n1)c1ccc(c(c1)O)Cl)c1ccncc1)(C)C.Cl
  • InChi: 1S/C31H33Cl2N5O2.ClH/c1-31(2,19-35-29(40)22-11-15-38(16-12-22)18-20-3-6-24(32)7-4-20)30-36-27(21-9-13-34-14-10-21)28(37-30)23-5-8-25(33)26(39)17-23;/h3-10,13-14,17,22,39H,11-12,15-16,18-19H2,1-2H3,(H,35,40)(H,36,37);1H
  • InChiKey: DEHNTZQYFQELLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum calcium-dependent protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Theileria parva calmodulin-domain protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Toxoplasma gondii calcium-dependent protein kinase CDPK2A Get druggable targets OG5_126600 All targets in OG5_126600
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii calmodulin-domain protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain Get druggable targets OG5_126600 All targets in OG5_126600
Toxoplasma gondii calcium-dependent protein kinase CDPK3 Get druggable targets OG5_126600 All targets in OG5_126600
Toxoplasma gondii calcium-dependent protein kinase CDPK2B Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis calmodulin-domain protein kinase 1 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 2 Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma mansoni protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 3 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii calcium-dependent protein kinase-3 Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II alpha chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinas domain and 4 calmodulin-like EF hands Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 4, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 1 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax calcium-dependent protein kinase 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II beta chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 3 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 4 Get druggable targets OG5_126600 All targets in OG5_126600
Candida albicans Serine-threonine protein kinase similar to S. cerevisiae CMK2 (YOL016C) calcium/calmodulin-dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania donovani protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type II delta chain, putative Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calmodulin-domain protein kinase 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 5, putative Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum hypothetical protein Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii Plasmodium falciparum CDPK2 protein Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Brugia malayi Cam kinase protein 1 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax calcium-dependent protein kinase 3, putative Get druggable targets OG5_126600 All targets in OG5_126600
Candida albicans Serine-threonine protein kinase similar to S. cerevisiae CMK2 (YOL016C) calcium/calmodulin-dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Babesia bovis calcium-dependent protein kinase 4 Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium yoelii calcium-dept. protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum Calcium-dependent protein kinase 2, related Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium falciparum calcium-dependent protein kinase 5 Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis CDPK2 Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Neospora caninum Calmodulin-like domain protein kinase isoenzyme gamma, related Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 1 Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum Calcium/calmodulin-dependent protein kinase type 1, putative Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 5 Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 Get druggable targets OG5_126600 All targets in OG5_126600
Loa Loa (eye worm) CAMK/CAMK2 protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania infantum protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax calcium-dependent protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus granulosus calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium vivax calcium-dependent protein kinase 4, putative Get druggable targets OG5_126600 All targets in OG5_126600
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum ko:K08794 calcium/calmodulin-dependent protein kinase I, putative Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania major protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Schistosoma japonicum ko:K04515 calcium/calmodulin-dependent protein kinase (CaM kinase) II, putative Get druggable targets OG5_126600 All targets in OG5_126600
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126600 All targets in OG5_126600
Theileria parva calcium-dependent protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium knowlesi calcium-dependent protein kinase 3, putative Get druggable targets OG5_126600 All targets in OG5_126600
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type Get druggable targets OG5_126600 All targets in OG5_126600
Plasmodium berghei calcium-dependent protein kinase 4 Get druggable targets OG5_126600 All targets in OG5_126600
Cryptosporidium hominis calcium-dependent protein kinase Get druggable targets OG5_126600 All targets in OG5_126600
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0266 0.2657
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.1223 0.4153
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0718 0.2337
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0067 0.0085
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0067 0.0085
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0718 0.2337
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.2852 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0067 0.0085
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0067 0.0085
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0266 0.0715
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0718 0.2337
Brugia malayi AMP-binding enzyme family protein 0.0025 0.1223 0.4153
Plasmodium vivax glutathione reductase, putative 0.0049 0.2852 1
Schistosoma mansoni hypothetical protein 0.0037 0.2071 0.2017
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0266 0.0715
Loa Loa (eye worm) hypothetical protein 0.0018 0.0816 0.2692
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0018 0.0817 0.2695
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.7866 1
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0018 0.0816 0.2692
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0266 0.0994
Brugia malayi Thioredoxin reductase 0.0049 0.2852 1
Treponema pallidum NADH oxidase 0.0017 0.0718 1
Plasmodium falciparum calcium-dependent protein kinase 3 0.0018 0.0817 0.2695
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0718 0.2337
Plasmodium vivax calcium-dependent protein kinase, putative 0.0018 0.0817 0.2695
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0718 0.2337
Plasmodium falciparum thioredoxin reductase 0.0049 0.2852 1
Schistosoma mansoni topbp1 0.001 0.0266 0.0201
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0266 0.2657
Plasmodium falciparum calcium-dependent protein kinase 5 0.0018 0.0817 0.2695
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0718 0.2337
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0809 0.1029
Loa Loa (eye worm) hypothetical protein 0.001 0.0266 0.0715
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.7866 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0718 0.2337
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0718 0.2337
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0067 0.0085
Loa Loa (eye worm) hypothetical protein 0.0018 0.0809 0.2667
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.1223 0.1555
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.7866 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0718 0.5627
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.7035 0.8943
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.2852 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.1223 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0809 0.6421
Plasmodium falciparum calcium-dependent protein kinase 1 0.0018 0.0817 0.2695
Schistosoma mansoni protein kinase 0.0018 0.0816 0.0755
Onchocerca volvulus 0.001 0.0266 0.1722
Loa Loa (eye worm) hypothetical protein 0.001 0.0266 0.0715
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0718 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0718 0.2337
Mycobacterium ulcerans hypothetical protein 0.0025 0.1223 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0067 0.0085
Brugia malayi DKFZp564C0469 protein 0.001 0.0266 0.0715
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0718 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.2852 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0718 0.2337
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0266 0.2657
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.7035 0.8943
Schistosoma mansoni DNA ligase IV 0.001 0.0266 0.0201
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0718 0.8682
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0067 0.0085
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0816 0.2692
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.1223 0.5772
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.2852 0.3625
Plasmodium falciparum thioredoxin reductase 0.0017 0.0718 0.2337
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0718 0.5627
Onchocerca volvulus 0.0025 0.1223 1
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0266 0.0715
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0266 0.2657
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.1223 0.4153
Entamoeba histolytica hypothetical protein 0.0037 0.2071 1
Trichomonas vaginalis CAMK family protein kinase 0.0018 0.0816 1
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0266 0.0715
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0718 0.2337
Entamoeba histolytica hypothetical protein 0.0037 0.2071 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0809 0.2667
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0266 0.1722
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0266 0.2657
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0067 0.0085
Plasmodium falciparum glutathione reductase 0.0049 0.2852 1
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0266 0.0201
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0266 0.2657
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.1223 0.1555
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0018 0.0817 0.2695
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0718 0.2337
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0417 0.1259
Loa Loa (eye worm) hypothetical protein 0.001 0.0266 0.0715
Plasmodium falciparum calcium-dependent protein kinase 2 0.0018 0.0817 0.2695
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0718 0.2337
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0718 0.8682
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0809 0.2667
Entamoeba histolytica hypothetical protein 0.0037 0.2071 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0718 0.8311
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0809 0.2667
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0018 0.0816 0.2692
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.1223 0.5772
Entamoeba histolytica protein kinase, putative 0.0018 0.0816 0.3741
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0266 0.0715
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0718 0.2337
Loa Loa (eye worm) hypothetical protein 0.001 0.0266 0.0715
Mycobacterium tuberculosis Probable reductase 0.0112 0.7035 0.8943
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0816 0.2692
Entamoeba histolytica hypothetical protein 0.001 0.0266 0.0994
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.2852 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0018 0.0817 0.2695
Brugia malayi glutathione reductase 0.0049 0.2852 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0816 0.2692
Brugia malayi hypothetical protein 0.001 0.0266 0.0715
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0718 0.0655
Echinococcus multilocularis calcium dependent protein kinase 0.0018 0.0793 0.2606
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0266 0.2657
Brugia malayi AMP-binding enzyme family protein 0.0025 0.1223 0.4153
Loa Loa (eye worm) hypothetical protein 0.001 0.0266 0.0715
Leishmania major trypanothione reductase 0.0049 0.2852 1
Plasmodium falciparum glutathione reductase 0.0017 0.0718 0.2337
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0718 0.0912
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.2071 0.7196
Schistosoma mansoni topbp1 0.001 0.0266 0.0201
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.2071 0.2017
Brugia malayi hypothetical protein 0.0037 0.2071 0.7196
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0743 0.0944
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0266 0.0715
Entamoeba histolytica protein kinase, putative 0.0018 0.0816 0.3741
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0718 0.5627
Brugia malayi AMP-binding enzyme family protein 0.0025 0.1223 0.4153
Loa Loa (eye worm) hypothetical protein 0.0018 0.0809 0.2667
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.7035 0.8943
Loa Loa (eye worm) hypothetical protein 0.0025 0.1223 0.4153
Trypanosoma brucei trypanothione reductase 0.0049 0.2852 1
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0018 0.0816 0.2692
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0816 0.2692
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0112 0.7035 0.8934
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0718 0.2337
Brugia malayi topoisomerase 0.001 0.0266 0.0715
Plasmodium falciparum calcium-dependent protein kinase 4 0.0018 0.0817 0.2695
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0018 0.0816 0.2692
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0718 0.2337
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.1223 0.1483
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0718 0.2337
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0718 0.2337
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0718 0.2337
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0266 0.0255
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.1223 1
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0266 0.0715
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.1223 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0743 0.0944
Loa Loa (eye worm) hypothetical protein 0.0018 0.0809 0.2667
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0067 0.0085
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0718 0.2337
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.1223 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0816 0.2692
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.1223 0.5772
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0718 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0809 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0266 0.0715
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0816 0.2692
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0816 0.2692
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0743 0.0944
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0018 0.0817 0.2695
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.2071 0.7196
Brugia malayi Cam kinase protein 1 0.0018 0.0816 0.2692
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0266 0.2657
Toxoplasma gondii thioredoxin reductase 0.0049 0.2852 1
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0018 0.0817 0.2695
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.1223 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0266 0.2657
Loa Loa (eye worm) hypothetical protein 0.0018 0.0809 0.2667
Loa Loa (eye worm) hypothetical protein 0.0025 0.1223 0.4153
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0718 0.2337
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0718 0.2337
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0067 0.0085
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0718 0.2337
Loa Loa (eye worm) glutathione reductase 0.0049 0.2852 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.7866 1
Echinococcus multilocularis nibrin 0.001 0.0266 0.0715
Leishmania major protein kinase, putative 0.0018 0.0816 0.2692
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0816 0.0755
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0266 0.2657
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.7035 0.8943
Echinococcus granulosus replication factor c subunit 1 0.001 0.0266 0.0715
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0266 0.0715
Echinococcus granulosus nibrin 0.001 0.0266 0.0715
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0417 0.1259
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.1223 0.1483
Brugia malayi hypothetical protein 0.001 0.0266 0.0715
Schistosoma mansoni protein kinase 0.0018 0.0816 0.0755
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0266 0.0715
Entamoeba histolytica hypothetical protein 0.0037 0.2071 1
Schistosoma mansoni protein kinase 0.0018 0.0816 0.0755
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0743 0.0944
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.2852 1
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0266 0.0715
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0718 0.2337
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0018 0.0817 0.2695
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0718 0.2337
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.7035 0.8943
Loa Loa (eye worm) hypothetical protein 0.001 0.0266 0.0715
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.1223 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0718 0.2337
Echinococcus granulosus calcium dependent protein kinase 0.0018 0.0793 0.2606
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.1223 0.4153
Loa Loa (eye worm) hypothetical protein 0.0025 0.1223 0.4153
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0266 0.0715
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0018 0.0816 0.2692
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0067 0.0085
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.1223 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0.347 uM PubChem BioAssay. Biochemical screen of P. falciparum CDPK1. (Class of assay: confirmatory) ChEMBL. No reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 6.62 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 6.8 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 9.13 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 36 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 83 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 100 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 5.07 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -6 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 36 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 83 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 100 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.21 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.623 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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