Detailed information for compound 1190993

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.931 | Formula: C25H25ClN2O2
  • H donors: 2 H acceptors: 2 LogP: 4.88 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NC(=O)C1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)(C)C
  • InChi: 1S/C25H25ClN2O2/c1-15-21(24(30)28-18-11-9-17(26)10-12-18)22(16-7-5-4-6-8-16)23-19(27-15)13-25(2,3)14-20(23)29/h4-12,22,27H,13-14H2,1-3H3,(H,28,30)
  • InChiKey: LVRPKKFTBNASSR-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
Homo sapiens kinesin family member 11 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii Kinesin motor domain, putative Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma mansoni kinesin eg-5 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium vivax kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Giardia lamblia Kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Loa Loa (eye worm) kinesin-like protein KLP2 Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium falciparum kinesin-5 Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Entamoeba histolytica kinesin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus granulosus kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium hominis kinesin-like boursin Get druggable targets OG5_128460 All targets in OG5_128460
Candida albicans kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein Get druggable targets OG5_128460 All targets in OG5_128460
Brugia malayi Kinesin motor domain containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium berghei kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Neospora caninum hypothetical protein Get druggable targets OG5_128460 All targets in OG5_128460
Plasmodium knowlesi kinesin-5, putative Get druggable targets OG5_128460 All targets in OG5_128460
Toxoplasma gondii kinesin motor domain-containing protein Get druggable targets OG5_128460 All targets in OG5_128460
Cryptosporidium parvum kinesin-like boursin, putative Get druggable targets OG5_128460 All targets in OG5_128460
Schistosoma japonicum ko:K10398 kinesin family member 11, putative Get druggable targets OG5_128460 All targets in OG5_128460
Echinococcus multilocularis kinesin family 1 Get druggable targets OG5_128460 All targets in OG5_128460
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
Onchocerca volvulus 0.0096 0.1052 0.4783
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0264 0.0539
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.1213 0.8837
Entamoeba histolytica hypothetical protein 0.008 0.0856 0.7352
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0446 0.2985
Schistosoma mansoni smad 0.0026 0.0168 0.0452
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0446 0.1349
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0357 1
Brugia malayi Smad1 0.0026 0.0168 0.0369
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0264 0.072
Toxoplasma gondii exonuclease III APE 0.0041 0.0357 0.5237
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0357 0.2963
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0336 0.2782
Schistosoma mansoni hypothetical protein 0.008 0.0856 0.3211
Echinococcus multilocularis smad 0.0026 0.0168 0.0113
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.1157 0.5273
Brugia malayi MH1 domain containing protein 0.0026 0.0168 0.0369
Brugia malayi Kinesin motor domain containing protein 0.0032 0.0251 0.0553
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1157 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.031 0.2548
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0336 0.2782
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0357 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0357 0.2304
Brugia malayi N-terminal motif family protein 0.0186 0.2177 0.479
Echinococcus granulosus peregrin 0.0032 0.0252 0.0679
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0055 0.031
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0039 0.0336 0.1127
Loa Loa (eye worm) transcription factor SMAD2 0.0374 0.4546 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0055 0.031
Brugia malayi Glycosyl hydrolases family 31 protein 0.0166 0.193 0.4245
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.1213 0.8837
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.1157 0.2514
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0168 0.0389
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.2268 0.499
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2268 0.8871
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0168 0.0389
Schistosoma mansoni ap endonuclease 0.0041 0.0357 0.1209
Brugia malayi Bromodomain containing protein 0.0032 0.0252 0.0554
Brugia malayi jmjC domain containing protein 0.0105 0.1172 0.2577
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0357 0.0785
Brugia malayi MH1 domain containing protein 0.0014 0.0025 0.0054
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 0.2177 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.031 0.2548
Echinococcus multilocularis GPCR, family 2 0.0033 0.0264 0.021
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0252 0.5036
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0631 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0166 0.193 0.4219
Loa Loa (eye worm) hypothetical protein 0.0033 0.0264 0.0539
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1162 0.2525
Loa Loa (eye worm) hypothetical protein 0.0032 0.0252 0.0513
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0337 0.0284
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0336 0.2782
Giardia lamblia Kinesin-5 0.0032 0.0251 0.1779
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.041 0.0357
Loa Loa (eye worm) glutathione reductase 0.0048 0.0446 0.0942
Echinococcus multilocularis ubiquitin specific protease 41 0.0039 0.0336 0.0283
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.031 0.0641
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0252 0.0198
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0055 0.031
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0682 0.1464
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.031 0.2548
Schistosoma mansoni hypothetical protein 0.0072 0.0746 0.2771
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1157 1
Schistosoma mansoni kinase 0.0053 0.0513 0.1837
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1157 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.031 0.0681
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1157 1
Schistosoma mansoni alpha glucosidase 0.0037 0.031 0.102
Plasmodium falciparum phd finger protein, putative 0.0032 0.0252 0.5036
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.031 0.2548
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0055 0.031
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0264 0.058
Plasmodium vivax glutathione reductase, putative 0.0048 0.0446 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0055 0.031
Giardia lamblia Kinase, PLK 0.0104 0.1157 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2268 0.8871
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.031 0.2548
Schistosoma mansoni hypothetical protein 0.0033 0.0264 0.0836
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0631 0.4399
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0631 0.5375
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2268 0.8871
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.193 0.1885
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0446 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1589 0.1543
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.1365 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.031 0.2548
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2268 0.8871
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0357 0.0303
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.031 0.2548
Schistosoma mansoni hypothetical protein 0.0033 0.0264 0.0836
Plasmodium falciparum thioredoxin reductase 0.0048 0.0446 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0336 0.0283
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0336 0.0283
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0357 0.2963
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0139 0.1589 0.3468
Toxoplasma gondii thioredoxin reductase 0.0048 0.0446 0.6785
Schistosoma mansoni Smad4 0.0026 0.0168 0.0452
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0336 0.097
Schistosoma mansoni ap endonuclease 0.0041 0.0357 0.1209
Loa Loa (eye worm) TAR-binding protein 0.0193 0.2268 0.4968
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0055 0.031
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.031 0.2548
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0446 0.0393
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0337 0.0973
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0357 0.7718
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.1157 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0264 0.058
Plasmodium falciparum kinesin-5 0.0032 0.0251 0.5017
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0264 0.021
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.1213 0.8837
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.0336 0.074
Brugia malayi hypothetical protein 0.008 0.0856 0.1884
Entamoeba histolytica kinesin, putative 0.0032 0.0251 0.2034
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0252 0.0679
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0039 0.0336 0.2551
Loa Loa (eye worm) hypothetical protein 0.0055 0.0541 0.1151
Loa Loa (eye worm) hypothetical protein 0.0014 0.0025 0.0011
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0168 0.0113
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0631 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.031 0.2548
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0252 0.3417
Schistosoma mansoni alpha-glucosidase 0.0143 0.164 0.6351
Plasmodium falciparum glutathione reductase 0.0048 0.0446 1
Brugia malayi glutathione reductase 0.0048 0.0446 0.0981
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1162 0.2557
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.1157 0.2546
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0055 0.031
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.031 0.2548
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0105 0.1172 0.3852
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0055 0.031
Schistosoma mansoni jumonji domain containing protein 0.0084 0.09 0.3385
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0446 0.3747
Giardia lamblia PHD finger protein 15 0.0032 0.0252 0.1786
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0357 0.2738
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0055 0.031
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.031 0.2548
Echinococcus granulosus ubiquitin specific protease 41 0.0039 0.0336 0.097
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.031 0.2548
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0631 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.031 0.2548
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1589 0.615
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.0251 0.0511
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0055 0.031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1589 0.1543
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0496 0.4187
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0055 0.031
Schistosoma mansoni kinesin eg-5 0.0032 0.0251 0.0786
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1157 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.1157 0.3803
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.1157 0.4418
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0357 0.2963
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0357 0.2963
Brugia malayi MH2 domain containing protein 0.0026 0.0168 0.0369
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0168 0.0113
Schistosoma mansoni hypothetical protein 0.0215 0.255 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.1365 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.2177 0.4767
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0336 0.2782
Plasmodium vivax kinesin-5 0.0032 0.0251 0.5017
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.1365 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1157 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.1157 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.031 0.2548
Mycobacterium tuberculosis Probable reductase 0.0109 0.1213 0.8837
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.002 0.0043
Schistosoma mansoni hypothetical protein 0.0032 0.0252 0.0789
Brugia malayi RNA binding protein 0.0193 0.2268 0.499
Loa Loa (eye worm) hypothetical protein 0.0039 0.0336 0.0699
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1157 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0336 0.2782
Schistosoma mansoni smad1 5 8 and 0.0026 0.0168 0.0452
Schistosoma mansoni alpha-glucosidase 0.0143 0.164 0.6351
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0055 0.5
Entamoeba histolytica hypothetical protein 0.008 0.0856 0.7352
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0055 0.031
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0631 0.2309
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.0336 0.2782
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0252 0.0789
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0446 0.0942
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.031 0.0256
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0357 0.2963
Brugia malayi MH1 domain containing protein 0.0014 0.0025 0.0054
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0055 0.031
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0055 0.031
Echinococcus granulosus GPCR family 2 0.0033 0.0264 0.072
Schistosoma mansoni hypothetical protein 0.0033 0.0264 0.0836
Echinococcus multilocularis Smad4 0.0026 0.0168 0.0113
Schistosoma mansoni smad1 5 8 and 0.0026 0.0168 0.0452
Brugia malayi TAR-binding protein 0.0193 0.2268 0.499
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0336 0.2782
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0168 0.0327
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0168 0.0327
Loa Loa (eye worm) RNA binding protein 0.0193 0.2268 0.4968
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0496 0.4187
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0357 0.1041
Loa Loa (eye worm) nuclear factor I 0.0014 0.0025 0.0011
Echinococcus multilocularis peregrin 0.0032 0.0252 0.0198
Trypanosoma brucei polo-like protein kinase 0.0104 0.1157 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0055 0.031
Echinococcus multilocularis kinesin family 1 0.0247 0.2954 0.2915
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.2268 0.4968
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0055 0.031
Loa Loa (eye worm) MH2 domain-containing protein 0.0374 0.4546 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.1213 0.8837
Brugia malayi MH2 domain containing protein 0.0374 0.4546 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1589 0.5294
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.193 0.1885
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1589 0.615
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0337 0.113
Echinococcus granulosus smad 0.0026 0.0168 0.0389
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0746 0.1642
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1589 0.615
Echinococcus granulosus kinesin family 1 0.0247 0.2954 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.1213 0.8837
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0039 0.0336 0.2782
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.1157 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.0168 0.0452
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0055 0.0121
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.031 0.4419
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.0251 0.3404
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0337 0.113
Loa Loa (eye worm) hypothetical protein 0.0072 0.0746 0.1606
Loa Loa (eye worm) Smad1 0.0026 0.0168 0.0327
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0631 0.1988
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.008 0.0856 0.0806
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0357 0.7718
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0252 0.3417
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0631 1
Echinococcus granulosus Smad4 0.0026 0.0168 0.0389
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.008 0.0856 0.2764
Echinococcus granulosus lysosomal alpha glucosidase 0.0166 0.193 0.6467
Entamoeba histolytica hypothetical protein 0.008 0.0856 0.7352
Entamoeba histolytica hypothetical protein 0.008 0.0856 0.7352
Onchocerca volvulus Alhambra homolog 0.0032 0.0252 0.1076
Loa Loa (eye worm) hypothetical protein 0.0105 0.1162 0.2525
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0039 0.0336 0.1127
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0337 0.0701
Echinococcus granulosus jumonji domain containing protein 0.0045 0.041 0.1225
Brugia malayi Thioredoxin reductase 0.0048 0.0446 0.0981
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0264 0.021
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0631 0.2309
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0336 0.097
Schistosoma mansoni transcription factor LCR-F1 0.008 0.0856 0.3211
Trypanosoma brucei trypanothione reductase 0.0048 0.0446 0.3747
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.1365 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0055 0.031
Brugia malayi MH1 domain containing protein 0.0026 0.0168 0.0369
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.1157 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0105 0.1172 0.1123
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0055 0.031
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0357 0.2963
Leishmania major trypanothione reductase 0.0048 0.0446 0.3747
Brugia malayi MH2 domain containing protein 0.0026 0.0168 0.0369
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0139 0.1589 0.3496
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1162 0.2557
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.031 0.0878
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0252 0.0513
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0168 0.0452
Brugia malayi PHD-finger family protein 0.0032 0.0252 0.0554
Schistosoma mansoni tar DNA-binding protein 0.0193 0.2268 0.8871
Echinococcus granulosus tar DNA binding protein 0.0193 0.2268 0.7636
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0264 0.072
Schistosoma mansoni hypothetical protein 0.0033 0.0264 0.0836
Echinococcus multilocularis tar DNA binding protein 0.0193 0.2268 0.2226
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0357 0.0745
Brugia malayi jmjC domain containing protein 0.0039 0.0337 0.0741
Trypanosoma brucei glucosidase, putative 0.0037 0.031 0.2548
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0357 0.5237
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0055 0.031
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0357 0.2963
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.1157 0.1108
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1589 0.5294
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0631 0.0579

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 100 nM Inhibition of human recombinant Eg5 ATPase activity expressed in Escherichia coli after 30 mins by malachite green-based spectrophotometric analysis ChEMBL. 23434636
IC50 (binding) = 0.18 uM Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins ChEMBL. 20934346
IC50 (functional) = 12.7 uM Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay ChEMBL. 20934346
IC50 (binding) = 40.34 uM Inhibition of human purified recombinant aurora-A kinase ChEMBL. 20934346

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20934346

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

2 literature references were collected for this gene.

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