Detailed information for compound 270623

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 451.273 | Formula: C21H15BrN4O3
  • H donors: 2 H acceptors: 3 LogP: 4.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCOC#CC(=O)Nc1ccc2c(c1)c(Nc1cccc(c1)Br)c(cn2)C#N
  • InChi: 1S/C21H15BrN4O3/c1-28-13-29-8-7-20(27)25-17-5-6-19-18(10-17)21(14(11-23)12-24-19)26-16-4-2-3-15(22)9-16/h2-6,9-10,12H,13H2,1H3,(H,24,26)(H,25,27)
  • InChiKey: HXKRMSOKTIQJRY-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 erb-b2 receptor tyrosine kinase 2 Starlite/ChEMBL References
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
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 CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0373 0.4197 1
Trichomonas vaginalis cyclins, putative 0.0102 0.1097 0.2557
Schistosoma mansoni tyrosine kinase 0.0191 0.2124 0.2124
Trichomonas vaginalis CMGC family protein kinase 0.027 0.3021 0.7178
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0009 0.0032 0.0105
Entamoeba histolytica cyclin, domain containing protein 0.003 0.028 0.0666
Schistosoma mansoni tyrosine kinase 0.0194 0.2148 0.2148
Loa Loa (eye worm) thioredoxin reductase 0.0025 0.0218 0.051
Giardia lamblia Kinase, CMGC CDK 0.027 0.3021 0.7178
Brugia malayi Furin-like cysteine rich region family protein 0.036 0.4055 1
Echinococcus multilocularis cyclin G2 0.003 0.028 0.028
Brugia malayi Cyclin, N-terminal domain containing protein 0.003 0.028 0.0677
Leishmania major cyclin 9, putative 0.003 0.028 0.0926
Entamoeba histolytica cell division protein kinase 2, putative 0.0294 0.3298 0.7858
Brugia malayi Cell division protein kinase 2 0.0028 0.0253 0.0612
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0373 0.4197 1
Echinococcus multilocularis dnaJ subfamily B 0.0252 0.2818 0.2818
Plasmodium falciparum cyclin 1 0.003 0.028 0.0926
Schistosoma mansoni cyclin G2 0.003 0.028 0.028
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Echinococcus granulosus epidermal growth factor receptor 0.0194 0.2148 0.2148
Giardia lamblia Cyclin B-like protein 0.003 0.028 0.0595
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0024 0.0209 0.0209
Echinococcus multilocularis cyclins 0.0126 0.137 0.137
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0014 0.0098 0.0334
Entamoeba histolytica cyclin family protein 0.0126 0.137 0.3264
Plasmodium falciparum MO15-related protein kinase 0.0028 0.0253 0.0838
Echinococcus multilocularis cyclins 0.0126 0.137 0.137
Loa Loa (eye worm) hypothetical protein 0.0038 0.0373 0.0893
Trichomonas vaginalis cyclin B3, putative 0.003 0.028 0.0595
Loa Loa (eye worm) haspin protein kinase 0.0028 0.0253 0.0597
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis cyclins, putative 0.0197 0.2187 0.5175
Trichomonas vaginalis cyclins, putative 0.003 0.028 0.0595
Schistosoma mansoni tyrosine kinase 0.036 0.4055 0.4055
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Leishmania major trypanothione reductase 0.0025 0.0218 0.0721
Trypanosoma brucei mitotic cyclin 6 0.0197 0.2187 0.7239
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0028 0.0253 0.0597
Brugia malayi Protein kinase domain containing protein 0.0028 0.0253 0.0612
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Loa Loa (eye worm) cyclin domain-containing protein 0.003 0.028 0.0663
Leishmania major mitotic cyclin, putative 0.003 0.028 0.0926
Trypanosoma brucei trypanothione reductase 0.0025 0.0218 0.0721
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0032 0.0105
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0028 0.0253 0.0838
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0012 0.0012
Echinococcus granulosus thioredoxin glutathione reductase 0.0025 0.0222 0.0222
Trichomonas vaginalis AGC family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis cyclin B, putative 0.0197 0.2187 0.5175
Schistosoma mansoni cyclin l 0.003 0.028 0.028
Trichomonas vaginalis conserved hypothetical protein 0.003 0.028 0.0595
Loa Loa (eye worm) hypothetical protein 0.019 0.2112 0.5195
Echinococcus granulosus L aminoadipate semialdehyde 0.0051 0.0519 0.0519
Entamoeba histolytica protein kinase domain containing protein 0.0142 0.1553 0.3702
Echinococcus multilocularis cyclin k 0.003 0.028 0.028
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Loa Loa (eye worm) hypothetical protein 0.0266 0.2978 0.7336
Echinococcus granulosus cyclin dependent kinase 9 0.0142 0.1553 0.1553
Brugia malayi Cyclin, N-terminal domain containing protein 0.0197 0.2187 0.5387
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0197 0.2187 0.7239
Echinococcus multilocularis cyclin G2 0.003 0.028 0.028
Brugia malayi Muscleblind-like protein 0.019 0.2112 0.5202
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0014 0.0098 0.0334
Trichomonas vaginalis CMGC family protein kinase 0.0028 0.0253 0.0532
Schistosoma mansoni cpg binding protein 0.0019 0.0147 0.0147
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0373 0.4197 1
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Brugia malayi cyclin fold protein 1 variant b 0.003 0.028 0.0677
Echinococcus granulosus insulin receptor 0.0115 0.125 0.125
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0028 0.0253 0.0253
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0245 0.2735 0.2735
Brugia malayi Cyclin, N-terminal domain containing protein 0.003 0.028 0.0677
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.003 0.028 0.0926
Trypanosoma cruzi cyclin, putative 0.0197 0.2187 0.7239
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0014 0.0098 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0063 0.0656 0.3145
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0025 0.0218 0.0939
Echinococcus multilocularis hypothetical protein 0.0024 0.0209 0.0209
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Giardia lamblia G2/mitotic-specific cyclin B 0.0197 0.2187 0.5175
Echinococcus granulosus Cyclin L1 0.003 0.028 0.028
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0373 0.4197 1
Trichomonas vaginalis CMGC family protein kinase 0.0028 0.0253 0.0532
Mycobacterium ulcerans aldehyde dehydrogenase 0.0077 0.0819 0.3967
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0032 0.0105
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0373 0.0373
Plasmodium vivax glutathione reductase, putative 0.0025 0.0218 0.0623
Loa Loa (eye worm) cyclin domain-containing protein 0.003 0.028 0.0663
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0194 0.2148 0.2148
Giardia lamblia Kinase, CAMK CAMKL 0.0028 0.0253 0.0532
Onchocerca volvulus 0.0051 0.0519 0.1178
Loa Loa (eye worm) glutathione reductase 0.0025 0.0218 0.051
Brugia malayi hypothetical protein 0.003 0.028 0.0677
Brugia malayi glutathione reductase 0.0025 0.0218 0.0525
Loa Loa (eye worm) hypothetical protein 0.019 0.2112 0.5195
Leishmania major serine/threonine kinase-like protein, putative 0.0028 0.0253 0.0838
Plasmodium vivax protein kinase Crk2 0.027 0.3021 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0038 0.0373 0.1234
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Giardia lamblia Hypothetical protein 0.003 0.028 0.0595
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0028 0.0253 0.0838
Brugia malayi Cyclin, N-terminal domain containing protein 0.0245 0.2735 0.674
Schistosoma mansoni serine/threonine protein kinase 0.027 0.3021 0.3021
Loa Loa (eye worm) cyclin domain-containing protein 0.003 0.028 0.0663
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0063 0.0656 0.2908
Entamoeba histolytica cyclin, domain containing protein 0.003 0.028 0.0666
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0057 0.0583 0.2779
Echinococcus granulosus cyclins 0.003 0.028 0.028
Trichomonas vaginalis AGC family protein kinase 0.0028 0.0253 0.0532
Schistosoma mansoni g1/s-specific cyclin C 0.003 0.028 0.028
Trichomonas vaginalis cyclin B, putative 0.0197 0.2187 0.5175
Plasmodium falciparum cyclin 0.0126 0.137 0.4534
Trichomonas vaginalis serine/threonine kinase, putative 0.0028 0.0253 0.0532
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0182 0.2016 1
Plasmodium falciparum glutathione reductase 0.0025 0.0218 0.0721
Brugia malayi Cyclin, N-terminal domain containing protein 0.003 0.028 0.0677
Onchocerca volvulus 0.0197 0.2187 0.6298
Trypanosoma cruzi cdc2-related kinase 3 0.027 0.3021 1
Trichomonas vaginalis cyclin D, putative 0.003 0.028 0.0595
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0077 0.0819 0.271
Schistosoma mansoni cyclin k 0.003 0.028 0.028
Loa Loa (eye worm) hypothetical protein 0.003 0.028 0.0663
Echinococcus multilocularis cyclin B 0.0197 0.2187 0.2187
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis set domain proteins, putative 0.0302 0.3393 0.807
Schistosoma mansoni cyclin G 0.003 0.028 0.028
Entamoeba histolytica hypothetical protein 0.0014 0.0098 0.0233
Schistosoma mansoni tyrosine kinase 0.0115 0.125 0.125
Trichomonas vaginalis AGC family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis AGC family protein kinase 0.0028 0.0253 0.0532
Echinococcus multilocularis cyclin B3 1 0.0126 0.137 0.137
Echinococcus granulosus cyclin dependent kinase 1 0.027 0.3021 0.3021
Schistosoma mansoni protein kinase 0.0028 0.0253 0.0253
Brugia malayi Cyclin C 0.003 0.028 0.0677
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Loa Loa (eye worm) cyclin domain-containing protein 0.003 0.028 0.0663
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.027 0.3021 1
Trypanosoma cruzi mitotic cyclin, putative 0.003 0.028 0.0926
Brugia malayi Cyclin, N-terminal domain containing protein 0.0197 0.2187 0.5387
Echinococcus multilocularis cyclin dependent kinase 9 0.0142 0.1553 0.1553
Trypanosoma cruzi cyclin 6, putative 0.0197 0.2187 0.7239
Mycobacterium tuberculosis Probable reductase 0.0057 0.0583 0.2779
Brugia malayi Protein kinase domain containing protein 0.0115 0.125 0.3074
Onchocerca volvulus 0.003 0.028 0.0443
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.027 0.3021 0.7444
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Brugia malayi hypothetical protein 0.0024 0.0209 0.0504
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0032 0.0105
Brugia malayi Thioredoxin reductase 0.0025 0.0218 0.0525
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Brugia malayi hypothetical protein 0.003 0.028 0.0677
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Loa Loa (eye worm) hypothetical protein 0.003 0.028 0.0663
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0009 0.0032 0.0105
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0032 0.0105
Giardia lamblia Cyclin fold protein 1, putative 0.003 0.028 0.0595
Trypanosoma cruzi trypanothione reductase, putative 0.0025 0.0218 0.0721
Schistosoma mansoni serine/threonine protein kinase 0.0142 0.1553 0.1553
Leishmania major cyclin 0.0197 0.2187 0.7239
Trichomonas vaginalis cyclin A, putative 0.0197 0.2187 0.5175
Entamoeba histolytica hypothetical protein 0.0024 0.0209 0.0499
Schistosoma mansoni microtubule-associated protein tau 0.088 1 1
Plasmodium vivax cyclin homologue, putative 0.003 0.028 0.083
Brugia malayi Protein kinase domain containing protein 0.027 0.3021 0.7447
Loa Loa (eye worm) cyclin domain-containing protein 0.003 0.028 0.0663
Plasmodium vivax SET domain protein, putative 0.0038 0.0373 0.1141
Schistosoma mansoni Cyclin fold protein 0.003 0.028 0.028
Toxoplasma gondii NADPH-glutathione reductase 0.0009 0.0032 0.0105
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0063 0.0656 0.3145
Onchocerca volvulus Protein CNPPD1 homolog 0.003 0.028 0.0443
Entamoeba histolytica cyclin C, putative 0.003 0.028 0.0666
Loa Loa (eye worm) cyclin domain-containing protein 0.003 0.028 0.0663
Echinococcus granulosus epidermal growth factor receptor 0.036 0.4055 0.4055
Trypanosoma cruzi mitotic cyclin, putative 0.003 0.028 0.0926
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0028 0.0253 0.0838
Trichomonas vaginalis AGC family protein kinase 0.0028 0.0253 0.0532
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0032 0.0105
Plasmodium falciparum thioredoxin reductase 0.0025 0.0218 0.0721
Echinococcus granulosus cyclin dependent kinase 0.027 0.3021 0.3021
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Entamoeba histolytica protein kinase domain containing protein 0.0028 0.0253 0.0603
Echinococcus multilocularis cpg binding protein 0.0019 0.0147 0.0147
Toxoplasma gondii histone lysine methyltransferase SET1 0.0035 0.0333 0.1101
Echinococcus granulosus cyclin y 0.003 0.028 0.028
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.003 0.028 0.028
Echinococcus multilocularis cyclins 0.0126 0.137 0.137
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0014 0.0098 0.0324
Echinococcus multilocularis epidermal growth factor receptor 0.036 0.4055 0.4055
Trichomonas vaginalis cyclin D, putative 0.0126 0.137 0.3213
Schistosoma mansoni cpg binding protein 0.0019 0.0147 0.0147
Schistosoma mansoni serine/threonine protein kinase 0.0028 0.0253 0.0253
Trichomonas vaginalis conserved hypothetical protein 0.003 0.028 0.0595
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Loa Loa (eye worm) cyclin domain-containing protein 0.0245 0.2735 0.6736
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0009 0.0032 0.0032
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0009 0.0032 0.0105
Echinococcus granulosus cyclin A3 4 0.003 0.028 0.028
Entamoeba histolytica hypothetical protein 0.003 0.028 0.0666
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0373 0.4197 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0009 0.0032 0.0105
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0057 0.0583 0.2779
Echinococcus granulosus cyclin 0.003 0.028 0.028
Echinococcus multilocularis cyclins 0.0126 0.137 0.137
Trichomonas vaginalis cyclin B, putative 0.003 0.028 0.0595
Trypanosoma cruzi cdc2-related kinase 3 0.027 0.3021 1
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0057 0.0583 0.253
Trichomonas vaginalis G protein-coupled receptor kinase, putative 0.0028 0.0253 0.0532
Trypanosoma cruzi cdc2-related kinase 1 0.027 0.3021 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0009 0.0032 0.0105
Trichomonas vaginalis cyclins, putative 0.0197 0.2187 0.5175
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0009 0.0032 0.0065
Echinococcus multilocularis cyclins 0.0126 0.137 0.137
Trichomonas vaginalis cyclin B, putative 0.003 0.028 0.0595
Trypanosoma cruzi CYC2-like cyclin, putative 0.0197 0.2187 0.7239
Leishmania major mitotic cyclin, putative 0.003 0.028 0.0926
Loa Loa (eye worm) hypothetical protein 0.0197 0.2187 0.538
Trypanosoma brucei cdc2-related kinase 1 0.027 0.3021 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0014 0.0098 0.0324
Trichomonas vaginalis cyclin B3, putative 0.003 0.028 0.0595
Loa Loa (eye worm) haspin protein kinase 0.0024 0.0209 0.0489
Schistosoma mansoni tyrosine kinase 0.0191 0.2124 0.2124
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0077 0.0819 0.0819
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.003 0.028 0.0926
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0009 0.0032 0.0105
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.027 0.3021 1
Trichomonas vaginalis cyclin D, putative 0.0126 0.137 0.3213
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Schistosoma mansoni aldehyde dehydrogenase 0.0077 0.0819 0.0819
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Onchocerca volvulus 0.0038 0.0373 0.0729
Mycobacterium ulcerans aldehyde dehydrogenase 0.0077 0.0819 0.3967
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Plasmodium falciparum thioredoxin reductase 0.0009 0.0032 0.0105
Entamoeba histolytica cyclin, putative 0.0126 0.137 0.3264
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0014 0.0098 0.0221
Trypanosoma cruzi cyclin 9, putative 0.003 0.028 0.0926
Toxoplasma gondii cyclin domain protein, cyclin H family protein 0.003 0.028 0.0926
Echinococcus multilocularis cyclin b3 0.0126 0.137 0.137
Trichomonas vaginalis cyclin B, putative 0.0197 0.2187 0.5175
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.027 0.3021 0.7444
Echinococcus multilocularis cyclin y 0.003 0.028 0.028
Echinococcus granulosus cyclin t1 0.003 0.028 0.028
Onchocerca volvulus Cyclin L homolog 0.003 0.028 0.0443
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0014 0.0098 0.0334
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0373 0.4197 1
Echinococcus multilocularis cyclin y 0.003 0.028 0.028
Brugia malayi Cyclin, N-terminal domain containing protein 0.003 0.028 0.0677
Echinococcus granulosus serine:threonine protein kinase haspin 0.0024 0.0209 0.0209
Echinococcus granulosus oligomeric golgi complex subunit 3 0.003 0.028 0.028
Brugia malayi cyclin-dependent kinase 7 homolog 0.0028 0.0253 0.0612
Brugia malayi Cyclin, N-terminal domain containing protein 0.003 0.028 0.0677
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.027 0.3021 0.3021
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0057 0.0583 0.2779
Echinococcus multilocularis cyclin t1 0.003 0.028 0.028
Giardia lamblia Cyclin A 0.0126 0.137 0.3213
Schistosoma mansoni cyclin B3 0.0245 0.2735 0.2735
Mycobacterium ulcerans aldehyde dehydrogenase 0.0077 0.0819 0.3967
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Echinococcus multilocularis Cyclin L1 0.003 0.028 0.028
Toxoplasma gondii hypothetical protein 0.0095 0.1023 0.3386
Trichomonas vaginalis cyclins, putative 0.0126 0.137 0.3213
Echinococcus multilocularis cyclins 0.0126 0.137 0.137
Brugia malayi F/Y-rich N-terminus family protein 0.0007 0.0011 0.0013
Giardia lamblia Hypothetical protein 0.0126 0.137 0.3213
Echinococcus multilocularis L aminoadipate semialdehyde 0.0051 0.0519 0.0519
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0009 0.0032 0.0105
Trypanosoma brucei mitotic cyclin 0.003 0.028 0.0926
Loa Loa (eye worm) haspin protein kinase 0.0024 0.0209 0.0489
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.003 0.028 0.028
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0373 0.4197 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0057 0.0583 0.2779
Echinococcus multilocularis microtubule associated protein 2 0.088 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0077 0.0819 0.271
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.003 0.028 0.028
Trypanosoma cruzi cdc2-related kinase 1 0.027 0.3021 1
Trypanosoma brucei cyclin 3 0.003 0.028 0.0926
Echinococcus granulosus cyclin dependent kinase 5 0.027 0.3021 0.3021
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0142 0.1553 0.3813
Loa Loa (eye worm) TK/EGFR protein kinase 0.036 0.4055 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0182 0.2016 1
Entamoeba histolytica cell division protein kinase 2, putative 0.027 0.3021 0.7199
Echinococcus granulosus cyclin y 0.003 0.028 0.028
Echinococcus granulosus cpg binding protein 0.0019 0.0147 0.0147
Giardia lamblia Fructose-bisphosphate aldolase 0.0373 0.4197 1
Plasmodium vivax cyclin dependent kinase binding protein, putative 0.003 0.028 0.083
Schistosoma mansoni tyrosine kinase 0.0115 0.125 0.125
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis AGC family protein kinase 0.0028 0.0253 0.0532
Plasmodium vivax thioredoxin reductase, putative 0.0025 0.0218 0.0623
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0038 0.0373 0.0373
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0009 0.0032 0.0105
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Schistosoma mansoni hypothetical protein 0.0024 0.0209 0.0209
Giardia lamblia Kinase, CMGC CDK 0.027 0.3021 0.7178
Echinococcus granulosus cyclin b3 0.0126 0.137 0.137
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0266 0.2974 0.7325
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0373 0.0373
Giardia lamblia Kinase, CAMK CAMKL 0.0028 0.0253 0.0532
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trypanosoma cruzi trypanothione reductase, putative 0.0009 0.0032 0.0105
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0014 0.0098 0.0324
Echinococcus granulosus cyclins 0.0126 0.137 0.137
Brugia malayi Pre-SET motif family protein 0.0038 0.0373 0.0907
Loa Loa (eye worm) hypothetical protein 0.0071 0.075 0.1826
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0115 0.125 0.125
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0077 0.0819 0.3967
Echinococcus multilocularis cyclin A3 4 0.003 0.028 0.028
Toxoplasma gondii hypothetical protein 0.003 0.028 0.0926
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Plasmodium falciparum cyclin dependent kinase binding protein, putative 0.003 0.028 0.0926
Schistosoma mansoni hypothetical protein 0.0252 0.2818 0.2818
Mycobacterium tuberculosis Probable dehydrogenase 0.0057 0.0583 0.2779
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Echinococcus granulosus dnaJ subfamily B 0.0252 0.2818 0.2818
Trichomonas vaginalis conserved hypothetical protein 0.0126 0.137 0.3213
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis cyclin B3, putative 0.0126 0.137 0.3213
Trichomonas vaginalis CMGC family protein kinase 0.027 0.3021 0.7178
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0014 0.0098 0.0159
Echinococcus granulosus G1:S specific cyclin D1 0.003 0.028 0.028
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0037 0.0352 0.0352
Trypanosoma brucei cyclin dependent kinase-binding protein, putative 0.003 0.028 0.0926
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0009 0.0032 0.0105
Schistosoma mansoni hypothetical protein 0.003 0.028 0.028
Loa Loa (eye worm) cyclin C 0.003 0.028 0.0663
Echinococcus granulosus histone lysine methyltransferase setb 0.0038 0.0373 0.0373
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0038 0.0373 0.0373
Giardia lamblia Kinase, CAMK CAMKL 0.0028 0.0253 0.0532
Schistosoma mansoni aldehyde dehydrogenase 0.0077 0.0819 0.0819
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0009 0.0032 0.0105
Loa Loa (eye worm) hypothetical protein 0.0051 0.0519 0.1256
Trichomonas vaginalis cyclins, putative 0.003 0.028 0.0595
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0009 0.0032 0.0032
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0012 0.0012
Echinococcus granulosus serine:threonine protein kinase NLK 0.0028 0.0253 0.0253
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Echinococcus multilocularis cyclin dependent kinase 0.027 0.3021 0.3021
Plasmodium vivax cyclin 4, putative 0.003 0.028 0.083
Echinococcus multilocularis thioredoxin glutathione reductase 0.0025 0.0222 0.0222
Onchocerca volvulus Cyclin L homolog 0.003 0.028 0.0443
Echinococcus granulosus cyclins 0.0126 0.137 0.137
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0024 0.0209 0.0209
Giardia lamblia Hypothetical protein 0.003 0.028 0.0595
Echinococcus multilocularis cyclins 0.0126 0.137 0.137
Leishmania major phosphopantetheinyl transferase-like protein 0.0014 0.0098 0.0324
Schistosoma mansoni cpg binding protein 0.0018 0.0136 0.0136
Brugia malayi Cyclin, N-terminal domain containing protein 0.003 0.028 0.0677
Echinococcus multilocularis cyclin 0.003 0.028 0.028
Mycobacterium tuberculosis Probable oxidoreductase 0.0063 0.0656 0.3145
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trypanosoma brucei protein kinase, putative 0.0028 0.0253 0.0838
Echinococcus granulosus serine:threonine protein kinase haspin 0.0024 0.0209 0.0209
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.003 0.028 0.0663
Schistosoma mansoni serine/threonine kinase 0.0028 0.0253 0.0253
Schistosoma mansoni kinase 0.0142 0.1553 0.1553
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0077 0.0819 0.0819
Echinococcus granulosus serine:threonine protein kinase haspin 0.0024 0.0209 0.0209
Brugia malayi cyclin-dependent kinase 9 0.0142 0.1553 0.3823
Plasmodium falciparum protein kinase 5 0.027 0.3021 1
Echinococcus multilocularis cyclin dependent kinase 1 0.027 0.3021 0.3021
Schistosoma mansoni cyclin d 0.003 0.028 0.028
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0028 0.0253 0.0741
Echinococcus granulosus cyclins 0.0126 0.137 0.137
Echinococcus multilocularis 0.0111 0.1209 0.1209
Echinococcus granulosus cyclin k 0.003 0.028 0.028
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0051 0.0519 0.0519
Trypanosoma cruzi cyclin, putative 0.0197 0.2187 0.7239
Trichomonas vaginalis cyclin B, putative 0.0197 0.2187 0.5175
Schistosoma mansoni tyrosine kinase 0.0191 0.2124 0.2124
Toxoplasma gondii thioredoxin reductase 0.0025 0.0218 0.0721
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0028 0.0253 0.0253
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0009 0.0032 0.0105
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0028 0.0253 0.0838
Onchocerca volvulus 0.0302 0.3393 1
Echinococcus multilocularis cyclin dependent kinase 1 0.027 0.3021 0.3021
Trichomonas vaginalis protein kinase atmrk1, putative 0.0028 0.0253 0.0532
Trichomonas vaginalis CMGC family protein kinase 0.0028 0.0253 0.0532
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.028 0.0926
Trichomonas vaginalis CMGC family protein kinase 0.0028 0.0253 0.0532
Echinococcus granulosus mitogen activated protein kinase 15 0.0028 0.0253 0.0253
Trichomonas vaginalis cyclins, putative 0.0197 0.2187 0.5175
Trypanosoma brucei cyclin 9 0.003 0.028 0.0926
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Echinococcus multilocularis cyclin dependent kinase 5 0.027 0.3021 0.3021
Schistosoma mansoni hypothetical protein 0.0024 0.0209 0.0209
Schistosoma mansoni cyclin B 0.0197 0.2187 0.2187
Trichomonas vaginalis CMGC family protein kinase 0.027 0.3021 0.7178
Schistosoma mansoni cyclins 0.0126 0.137 0.137
Echinococcus multilocularis cyclin dependent kinase 9 0.0166 0.183 0.183
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0373 0.0373
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0009 0.0032 0.0105
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0373 0.4197 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0115 0.125 0.125
Loa Loa (eye worm) CYL-1 protein 0.003 0.028 0.0663
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.027 0.3021 0.7444
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0028 0.0253 0.0741
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0009 0.0032 0.0032
Schistosoma mansoni hypothetical protein 0.003 0.028 0.028
Brugia malayi Cyclin, N-terminal domain containing protein 0.003 0.028 0.0677
Treponema pallidum fructose-bisphosphate aldolase 0.0373 0.4197 1
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Echinococcus multilocularis muscleblind protein 1 0.019 0.2112 0.2112
Toxoplasma gondii cyclin dependent kinase binding protein 0.003 0.028 0.0926
Plasmodium vivax hypothetical protein, conserved 0.003 0.028 0.083
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0009 0.0032 0.0105
Entamoeba histolytica cyclin, putative 0.0197 0.2187 0.5211
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Entamoeba histolytica cyclin family protein 0.0126 0.137 0.3264
Brugia malayi Pre-SET motif family protein 0.0266 0.2974 0.733
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0028 0.0253 0.0838
Schistosoma mansoni tyrosine kinase 0.0194 0.2148 0.2148
Echinococcus granulosus cyclin G2 0.003 0.028 0.028
Echinococcus granulosus cyclins 0.0126 0.137 0.137
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0028 0.0253 0.0253
Echinococcus multilocularis muscleblind protein 0.019 0.2112 0.2112
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0373 0.4197 1
Echinococcus multilocularis epidermal growth factor receptor 0.0194 0.2148 0.2148
Loa Loa (eye worm) hypothetical protein 0.0197 0.2187 0.538
Echinococcus granulosus muscleblind protein 0.019 0.2112 0.2112
Echinococcus granulosus cyclin dependent kinase 9 0.0166 0.183 0.183
Schistosoma mansoni serine/threonine protein kinase 0.027 0.3021 0.3021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0373 0.4197 1
Echinococcus granulosus cyclin B 0.0197 0.2187 0.2187
Echinococcus granulosus cyclin G2 0.003 0.028 0.028
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0038 0.0373 0.0373
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0028 0.0253 0.0597
Loa Loa (eye worm) CXXC zinc finger family protein 0.0018 0.0136 0.0306
Echinococcus granulosus cyclin B3 1 0.0126 0.137 0.137
Toxoplasma gondii cyclin 4, putative 0.003 0.028 0.0926
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0014 0.0098 1
Brugia malayi GSG2 0.0024 0.0209 0.0504
Trypanosoma brucei cdc2-related kinase 3 0.027 0.3021 1
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.003 0.028 0.028
Trypanosoma brucei hypothetical protein, conserved 0.0014 0.0098 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.003 0.028 0.0595
Trichomonas vaginalis cyclins, putative 0.0197 0.2187 0.5175
Trichomonas vaginalis cyclin B, putative 0.0126 0.137 0.3213
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0039 0.0379 0.0379
Trichomonas vaginalis cyclin A, putative 0.003 0.028 0.0595
Plasmodium falciparum glutathione reductase 0.0009 0.0032 0.0105
Echinococcus granulosus cyclins 0.0126 0.137 0.137
Echinococcus multilocularis insulin receptor 0.0115 0.125 0.125
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0245 0.2735 0.2735
Loa Loa (eye worm) TK/INSR protein kinase 0.0115 0.125 0.3063
Brugia malayi cell division control protein 2 homolog 0.027 0.3021 0.7447
Brugia malayi CXXC zinc finger family protein 0.0018 0.0136 0.0321
Echinococcus multilocularis G1:S specific cyclin D1 0.003 0.028 0.028
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0009 0.0032 0.0105
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0024 0.0209 0.0209
Trichomonas vaginalis CAMK family protein kinase 0.0028 0.0253 0.0532
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0051 0.0519 0.1269
Trichomonas vaginalis AGC family protein kinase 0.0028 0.0253 0.0532
Trichomonas vaginalis conserved hypothetical protein 0.003 0.028 0.0595
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.027 0.3021 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0182 0.2016 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.17 uM Concentration required to inhibit growth of human carcinoma epidermoid (A431) cell line ChEMBL. 12502359
IC50 (functional) = 0.17 uM Concentration required to inhibit growth of human carcinoma epidermoid (A431) cell line ChEMBL. 12502359
IC50 (functional) = 0.23 uM Concentration required to inhibit growth of human carcinoma breast (SKBR3) cell line ChEMBL. 12502359
IC50 (functional) = 0.23 uM Concentration required to inhibit growth of human carcinoma colon (SW620) cell line ChEMBL. 12502359
IC50 (functional) = 0.23 uM Concentration required to inhibit growth of human carcinoma colon (SW620) cell line ChEMBL. 12502359
IC50 (binding) = 0.33 uM Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor ChEMBL. 12502359
IC50 (binding) = 0.33 uM Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor ChEMBL. 12502359
IC50 (binding) = 0.38 uM Concentration required to inhibit autophosphorylation of cytoplasmic domain of human epidermal growth factor receptor-2 ChEMBL. 12502359
IC50 (binding) = 0.38 uM Concentration required to inhibit autophosphorylation of cytoplasmic domain of human epidermal growth factor receptor-2 ChEMBL. 12502359

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12502359

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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