Detailed information for compound 149230

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.345 | Formula: C19H25BrN6O2
  • H donors: 3 H acceptors: 5 LogP: 2.35 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN(c1nc(NCc2ccc(cc2)Br)c2c(n1)n(cn2)C(C)C)CCO
  • InChi: 1S/C19H25BrN6O2/c1-13(2)26-12-22-16-17(21-11-14-3-5-15(20)6-4-14)23-19(24-18(16)26)25(7-9-27)8-10-28/h3-6,12-13,27-28H,7-11H2,1-2H3,(H,21,23,24)
  • InChiKey: KXWPJLNSYQKTCM-UHFFFAOYSA-N  

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 cyclin E2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus g protein coupled receptor 0.0072 0.1437 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0023 0.0348 0.0533
Schistosoma mansoni cyclins 0.0021 0.0317 0.0834
Onchocerca volvulus 0.0072 0.1437 1
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.0179 0.3798 1
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Brugia malayi Dopamine receptor 0.0072 0.1437 0.6841
Onchocerca volvulus 0.0072 0.1437 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Mycobacterium ulcerans 3-dehydroquinate synthase 0.0179 0.3798 0.3798
Echinococcus multilocularis cyclins 0.0021 0.0317 0.0485
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0016 0.0205 0.0975
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0072 0.1437 0.2199
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0072 0.1437 0.2199
Brugia malayi Serotonin receptor 0.0072 0.1437 0.6841
Schistosoma mansoni amine GPCR 0.0072 0.1437 0.3785
Brugia malayi Cytochrome P450 family protein 0.0019 0.0273 0.1299
Echinococcus multilocularis cyclins 0.0021 0.0317 0.0485
Echinococcus multilocularis g protein coupled receptor 0.0072 0.1437 0.2199
Schistosoma mansoni neuropeptide F-like receptor 0.0072 0.1437 0.3785
Echinococcus granulosus cyclins 0.0021 0.0317 0.2204
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0072 0.1437 0.6841
Plasmodium falciparum cyclin 0.0021 0.0317 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0622 0.296
Echinococcus granulosus tm gpcr rhodopsin 0.0072 0.1437 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0072 0.1424 0.6778
Trypanosoma brucei mitotic cyclin 6 0.0021 0.0317 0.2225
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0072 0.1437 0.6841
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0016 0.0205 0.0975
Onchocerca volvulus 0.0072 0.1437 1
Echinococcus granulosus carbonic anhydrase II 0.0072 0.1424 0.9907
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0461 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Trichomonas vaginalis cyclin B, putative 0.0021 0.0317 0.1508
Echinococcus multilocularis neuropeptides capa receptor 0.0072 0.1437 0.2199
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Trichomonas vaginalis cyclins, putative 0.0021 0.0317 0.1508
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0072 0.1437 1
Brugia malayi neuropeptide F receptor 0.0072 0.1437 0.6841
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1437 0.3785
Onchocerca volvulus 0.0072 0.1437 1
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.0179 0.3798 1
Schistosoma mansoni amine GPCR 0.0072 0.1437 0.3785
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0021 0.0317 0.2225
Schistosoma mansoni adenoreceptor 0.0072 0.1437 0.3785
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0072 0.1437 0.2199
Echinococcus multilocularis neuropeptide receptor 0.0072 0.1437 0.2199
Echinococcus multilocularis fmrfamide receptor 0.0072 0.1437 0.2199
Entamoeba histolytica cyclin family protein 0.0021 0.0317 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0072 0.1437 0.3785
Schistosoma mansoni biogenic amine receptor 0.0072 0.1437 0.3785
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0072 0.1437 0.6841
Echinococcus multilocularis dro:myosuppressin receptor 0.0072 0.1437 0.2199
Schistosoma mansoni aryl hydrocarbon receptor 0.0019 0.0272 0.0715
Echinococcus granulosus alpha 1A adrenergic receptor 0.0072 0.1437 1
Schistosoma mansoni single-minded 0.0019 0.0272 0.0715
Trichomonas vaginalis cyclins, putative 0.0021 0.0317 0.1508
Echinococcus granulosus neuropeptide Y receptor 0.0072 0.1437 1
Loa Loa (eye worm) G-protein coupled receptor 0.0072 0.1437 0.6841
Schistosoma mansoni carbonic anhydrase-related 0.0016 0.0205 0.0539
Entamoeba histolytica cyclin family protein 0.0021 0.0317 1
Brugia malayi RE15519p 0.0072 0.1437 0.6841
Schistosoma mansoni neuropeptide receptor 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus granulosus biogenic amine 5HT receptor 0.0072 0.1437 1
Echinococcus multilocularis cyclin b3 0.0021 0.0317 0.0485
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1437 0.2199
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0072 0.1437 0.6841
Schistosoma mansoni neuropeptide f receptor 76f 0.0072 0.1437 0.3785
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0273 0.1299
Onchocerca volvulus 0.0072 0.1437 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0072 0.1437 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0317 0.1508
Trichomonas vaginalis cyclin B3, putative 0.0021 0.0317 0.1508
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0317 0.1508
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0072 0.1437 0.2199
Loa Loa (eye worm) hypothetical protein 0.0021 0.0317 0.1508
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0021 0.0317 0.1508
Brugia malayi G-protein coupled receptor 0.0072 0.1437 0.6841
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0072 0.1437 0.3785
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0072 0.1437 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0072 0.1437 1
Trichomonas vaginalis cyclins, putative 0.0021 0.0317 0.1508
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0072 0.1437 0.2199
Brugia malayi Dopamine receptor protein 2 0.0072 0.1437 0.6841
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0282 0.6047 0.3627
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Schistosoma mansoni cyclin B 0.0021 0.0317 0.0834
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0016 0.0205 0.0975
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1437 1
Echinococcus granulosus neuropeptide receptor 0.0072 0.1437 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0072 0.1437 0.2199
Entamoeba histolytica cyclin, putative 0.0021 0.0317 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis carbonic anhydrase 0.0016 0.0205 0.0313
Toxoplasma gondii hypothetical protein 0.0016 0.0205 0.0205
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0065 0.1277 0.6079
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus granulosus single minded 2 0.0014 0.0161 0.1119
Loa Loa (eye worm) carboxylesterase 0.0035 0.0622 0.296
Loa Loa (eye worm) glutaminase 0.0102 0.2101 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0072 0.1437 1
Brugia malayi Serotonin receptor 0.0072 0.1437 0.6841
Trichomonas vaginalis cyclins, putative 0.0021 0.0317 0.1508
Echinococcus granulosus somatostatin receptor 0.0072 0.1437 1
Echinococcus multilocularis neuropeptide Y receptor 0.0072 0.1437 0.2199
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1437 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1437 0.2199
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0072 0.1437 0.2199
Mycobacterium ulcerans putative regulatory protein 0.0014 0.0161 0.0161
Brugia malayi glutaminase DH11.1 0.0102 0.2101 1
Echinococcus granulosus hypothetical protein 0.0072 0.1437 1
Echinococcus granulosus neuropeptide s receptor 0.0072 0.1437 1
Echinococcus granulosus neuropeptides capa receptor 0.0072 0.1437 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0072 0.1437 0.6841
Echinococcus granulosus carboxylesterase 5A 0.0035 0.0622 0.4327
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Brugia malayi AKH receptor 0.0072 0.1437 0.6841
Trichomonas vaginalis cyclins, putative 0.0021 0.0317 0.1508
Trichomonas vaginalis cyclin B, putative 0.0021 0.0317 0.1508
Echinococcus granulosus cyclin B 0.0021 0.0317 0.2204
Loa Loa (eye worm) neuropeptide F receptor 0.0072 0.1437 0.6841
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0317 0.1508
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1437 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0072 0.1437 0.3785
Brugia malayi Carboxylesterase family protein 0.0035 0.0622 0.296
Schistosoma mansoni neuropeptide receptor 0.0072 0.1437 0.3785
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0317 0.1508
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1437 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1437 0.3785
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Trichomonas vaginalis cyclin A, putative 0.0021 0.0317 0.1508
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1437 0.2199
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0461 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0072 0.1437 1
Echinococcus granulosus cyclin b3 0.0021 0.0317 0.2204
Brugia malayi G protein-coupled receptor F59B2.13 0.0072 0.1437 0.6841
Schistosoma mansoni histamine h1 receptor 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Onchocerca volvulus Neuropeptide F receptor homolog 0.0072 0.1437 1
Echinococcus granulosus cyclins 0.0021 0.0317 0.2204
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis neuropeptide receptor 0.0072 0.1437 0.2199
Echinococcus granulosus 7tm_1 domain containing protein 0.0072 0.1437 1
Schistosoma mansoni amine GPCR 0.0072 0.1437 0.3785
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0023 0.0348 0.2446
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0016 0.0205 0.0975
Schistosoma mansoni carbonic anhydrase 0.0016 0.0205 0.0539
Echinococcus multilocularis cyclin B3 1 0.0021 0.0317 0.0485
Echinococcus granulosus peptide allatostatin:somatostatin 0.0072 0.1437 1
Echinococcus multilocularis cyclins 0.0021 0.0317 0.0485
Loa Loa (eye worm) hypothetical protein 0.0016 0.0205 0.0975
Echinococcus granulosus orexin receptor type 2 0.0072 0.1437 1
Echinococcus multilocularis cyclins 0.0021 0.0317 0.0485
Echinococcus granulosus cyclin B3 1 0.0021 0.0317 0.2204
Loa Loa (eye worm) melatonin receptor type 1A 0.0072 0.1437 0.6841
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0072 0.1437 0.3785
Echinococcus granulosus serotonin receptor 0.0072 0.1437 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Onchocerca volvulus 0.0072 0.1437 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Brugia malayi Dopamine receptor protein 1 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) acetylcholinesterase 1 0.0035 0.0622 0.296
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0282 0.6047 0.6047
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Brugia malayi PAS domain containing protein 0.0019 0.0272 0.1293
Brugia malayi follicle stimulating hormone receptor 0.0072 0.1437 0.6841
Schistosoma mansoni hypothetical protein 0.0072 0.1437 0.3785
Schistosoma mansoni biogenic amine (5HT) receptor 0.0072 0.1437 0.3785
Echinococcus multilocularis transfer RNA-Lys 0.0014 0.0161 0.0246
Schistosoma mansoni glutaminase 0.0102 0.2101 0.5532
Onchocerca volvulus 0.0072 0.1437 1
Onchocerca volvulus 0.0072 0.1437 1
Brugia malayi bHLH-PAS transcription factor 0.0014 0.0161 0.0765
Trypanosoma cruzi cyclin, putative 0.0021 0.0317 0.2225
Brugia malayi neuropeptide F receptor 0.0072 0.1437 0.6841
Echinococcus granulosus G protein coupled receptor 139 0.0072 0.1437 1
Echinococcus granulosus acetylcholinesterase 0.0035 0.0622 0.4327
Echinococcus granulosus 7TM GPCR rhodopsin 0.0072 0.1437 1
Echinococcus granulosus carbonic anhydrase 0.0016 0.0205 0.1425
Trichomonas vaginalis cyclin B, putative 0.0021 0.0317 0.1508
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0072 0.1424 0.6778
Onchocerca volvulus 0.0072 0.1437 1
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Brugia malayi G protein-coupled receptor 0.0072 0.1437 0.6841
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0023 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0072 0.1437 0.2199
Onchocerca volvulus 0.0072 0.1437 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0072 0.1437 0.2199
Schistosoma mansoni opsin-like receptor 0.0072 0.1437 0.3785
Echinococcus granulosus sex peptide receptor 0.0072 0.1437 1
Trypanosoma cruzi cyclin 6, putative 0.0021 0.0317 0.2225
Loa Loa (eye worm) neuropeptide F receptor 0.0072 0.1437 0.6841
Echinococcus granulosus dro:myosuppressin receptor 0.0072 0.1437 1
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis somatostatin receptor 0.0072 0.1437 0.2199
Giardia lamblia Cyclin A 0.0021 0.0317 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0023 0.0348 0.0348
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0072 0.1437 0.3785
Echinococcus multilocularis neuropeptide Y receptor 0.0072 0.1437 0.2199
Echinococcus granulosus carbonic anhydrase 0.0016 0.0205 0.1425
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus granulosus tachykinin peptides receptor 99D 0.0072 0.1437 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0072 0.1424 0.6778
Echinococcus granulosus acetylcholinesterase 0.0035 0.0622 0.4327
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0072 0.1424 0.375
Entamoeba histolytica cyclin, putative 0.0021 0.0317 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0072 0.1424 1
Brugia malayi larval opioid receptor 0.0072 0.1437 0.6841
Echinococcus multilocularis orexin receptor type 2 0.0072 0.1437 0.2199
Trichomonas vaginalis cyclin B, putative 0.0021 0.0317 0.1508
Loa Loa (eye worm) glutaminase 2 0.0102 0.2101 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0072 0.1437 0.2199
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0072 0.1437 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0016 0.0205 0.0975
Brugia malayi putative neuropeptide receptor 0.0072 0.1437 0.6841
Schistosoma mansoni hypothetical protein 0.0072 0.1437 0.3785
Onchocerca volvulus 0.0072 0.1437 1
Brugia malayi GnHR receptor homolog 0.0072 0.1437 0.6841
Leishmania major cyclin 0.0021 0.0317 0.2225
Echinococcus multilocularis neuropeptides capa receptor 0.0072 0.1437 0.2199
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0072 0.1437 0.3785
Echinococcus multilocularis G protein coupled receptor 139 0.0072 0.1437 0.2199
Echinococcus multilocularis cyclins 0.0021 0.0317 0.0485
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0282 0.6047 1
Brugia malayi sulfakinin receptor protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Plasmodium falciparum carbonic anhydrase 0.0016 0.0205 0.6465
Onchocerca volvulus 0.0072 0.1437 1
Trichomonas vaginalis cyclin D, putative 0.0021 0.0317 0.1508
Echinococcus multilocularis sex peptide receptor 0.0072 0.1437 0.2199
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0021 0.0317 0.2204
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0072 0.1437 0.3785
Toxoplasma gondii hypothetical protein 0.0016 0.0203 0.0203
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0072 0.1437 0.6841
Echinococcus multilocularis fmrfamide receptor 0.0072 0.1437 0.2199
Echinococcus granulosus allatostatin A receptor 0.0072 0.1437 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Brugia malayi ORL1-like opioid receptor 0.0072 0.1437 0.6841
Schistosoma mansoni neuropeptide receptor 0.0072 0.1437 0.3785
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0282 0.6047 1
Echinococcus granulosus cyclins 0.0021 0.0317 0.2204
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1437 1
Schistosoma mansoni biogenic amine receptor 0.0072 0.1437 0.3785
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1437 0.3785
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1437 1
Schistosoma mansoni carbonic anhydrase-related 0.0016 0.0205 0.0539
Giardia lamblia G2/mitotic-specific cyclin B 0.0021 0.0317 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Schistosoma mansoni amine GPCR 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0072 0.1437 0.3785
Loa Loa (eye worm) TYRA-2 protein 0.0072 0.1437 0.6841
Echinococcus multilocularis cyclins 0.0021 0.0317 0.0485
Echinococcus granulosus neuropeptide receptor A26 0.0072 0.1437 1
Brugia malayi hypothetical protein 0.0065 0.1277 0.6079
Brugia malayi hypoxia-induced factor 1 0.006 0.1166 0.5551
Echinococcus multilocularis g protein coupled receptor 0.0072 0.1437 0.2199
Echinococcus granulosus g protein coupled receptor 0.0072 0.1437 1
Onchocerca volvulus 0.0072 0.1437 1
Onchocerca volvulus 0.0072 0.1437 1
Mycobacterium ulcerans glutaminase 0.0102 0.2101 0.2101
Echinococcus multilocularis allatostatin A receptor 0.0072 0.1437 0.2199
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0072 0.1437 0.2199
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0021 0.0314 0.1496
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1437 0.2199
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0016 0.0205 0.0975
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0072 0.1437 0.2199
Onchocerca volvulus 0.0072 0.1437 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0072 0.1437 0.2199
Trichomonas vaginalis glutaminase, putative 0.0102 0.2101 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1437 0.3785
Echinococcus multilocularis G-protein coupled receptor, putative 0.0072 0.1437 0.2199
Echinococcus granulosus g protein coupled receptor 0.0072 0.1437 1
Echinococcus multilocularis carbonic anhydrase II 0.0072 0.1424 0.2178
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1437 0.3785
Schistosoma mansoni neuropeptide receptor 0.0072 0.1437 0.3785
Schistosoma mansoni carbonic anhydrase-related 0.0016 0.0205 0.0539
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis serotonin receptor 0.0072 0.1437 0.2199
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0021 0.0317 0.0485
Loa Loa (eye worm) hypothetical protein 0.0016 0.0205 0.0975
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0072 0.1437 0.3785
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0023 0.0348 0.0917
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Schistosoma mansoni neuropeptide F-like receptor 0.0072 0.1437 0.3785
Brugia malayi G-protein coupled receptor 0.0072 0.1437 0.6841
Echinococcus multilocularis serotonin receptor 0.0072 0.1437 0.2199
Brugia malayi putative neuropeptide receptor NPR1 0.0072 0.1437 0.6841
Schistosoma mansoni amine GPCR 0.0072 0.1437 0.3785
Onchocerca volvulus 0.0021 0.0317 0.1222
Echinococcus granulosus neuropeptide FF receptor 2 0.0072 0.1437 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.0622 0.1638
Echinococcus granulosus g-protein coupled receptor 0.0072 0.1437 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Brugia malayi Melatonin receptor type 1A 0.0072 0.1437 0.6841
Schistosoma mansoni growth hormone secretagogue receptor 0.0072 0.1437 0.3785
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0072 0.1437 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0072 0.1437 0.6841
Onchocerca volvulus 0.0072 0.1437 1
Echinococcus multilocularis carboxylesterase 5A 0.0035 0.0622 0.0951
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Echinococcus granulosus tm gpcr rhodopsin 0.0072 0.1437 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0072 0.1424 0.6778
Echinococcus granulosus fmrfamide receptor 0.0072 0.1437 1
Onchocerca volvulus 0.0072 0.1437 1
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1437 0.2199
Schistosoma mansoni hypothetical protein 0.0016 0.0205 0.0539
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis carbonic anhydrase 0.0016 0.0205 0.0313
Echinococcus granulosus biogenic amine 5HT receptor 0.0072 0.1437 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0072 0.1437 0.6841
Loa Loa (eye worm) G-protein coupled receptor 0.0072 0.1437 0.6841
Echinococcus granulosus carbonic anhydrase 0.0016 0.0205 0.1425
Echinococcus multilocularis neuropeptide receptor A26 0.0072 0.1437 0.2199
Echinococcus multilocularis cyclins 0.0021 0.0317 0.0485
Echinococcus granulosus rhodopsin orphan GPCR 0.0072 0.1437 1
Echinococcus multilocularis acetylcholinesterase 0.0035 0.0622 0.0951
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0072 0.1437 0.2199
Trypanosoma cruzi cyclin, putative 0.0021 0.0317 0.2225
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus granulosus neuropeptide Y receptor 0.0072 0.1437 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0304 0.6537 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0072 0.1437 0.2199
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0023 0.0348 0.2423
Giardia lamblia Hypothetical protein 0.0021 0.0317 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.006 0.1166 0.5551
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0072 0.1424 1
Echinococcus multilocularis neuropeptide s receptor 0.0072 0.1437 0.2199
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0016 0.0205 0.0975
Loa Loa (eye worm) cyclin domain-containing protein 0.0021 0.0317 0.1508
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0023 0.0348 0.0917
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0072 0.1437 0.6841
Echinococcus granulosus tm gpcr rhodopsin 0.0072 0.1437 1
Echinococcus multilocularis cyclin B 0.0021 0.0317 0.0485
Echinococcus multilocularis acetylcholinesterase 0.0035 0.0622 0.0951
Echinococcus granulosus cyclins 0.0021 0.0317 0.2204
Echinococcus multilocularis g protein coupled receptor 0.0072 0.1437 0.2199
Schistosoma mansoni cyclin B3 0.0021 0.0317 0.0834
Echinococcus multilocularis g-protein coupled receptor 0.0072 0.1437 0.2199
Schistosoma mansoni 3-dehydroquinate synthase 0.0179 0.3798 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0007 0 0.5
Echinococcus multilocularis carbonic anhydrase 0.0016 0.0205 0.0313
Trichomonas vaginalis cyclin B, putative 0.0021 0.0317 0.1508
Schistosoma mansoni myosin xvIII 0.0072 0.1437 0.3785
Trypanosoma cruzi CYC2-like cyclin, putative 0.0021 0.0317 0.2225
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0023 0.0348 0.1658
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0072 0.1437 0.3785
Schistosoma mansoni opsin-like receptor 0.0072 0.1437 0.3785
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0461 1 1
Brugia malayi hypothetical protein 0.0072 0.1437 0.6841
Leishmania major carbonic anhydrase-like protein 0.0072 0.1424 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Schistosoma mansoni hypothetical protein 0.0072 0.1437 0.3785
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0072 0.1437 0.3785
Trichomonas vaginalis cyclin D, putative 0.0021 0.0317 0.1508
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1437 0.2199
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Schistosoma mansoni biogenic amine receptor 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1437 0.2199
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0072 0.1424 0.375
Echinococcus granulosus cyclins 0.0021 0.0317 0.2204
Echinococcus multilocularis rhodopsin orphan GPCR 0.0072 0.1437 0.2199
Schistosoma mansoni opsin-like receptor 0.0072 0.1437 0.3785
Trypanosoma brucei carbonic anhydrase-like protein 0.0072 0.1424 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0072 0.1437 0.3785
Loa Loa (eye worm) hypothetical protein 0.0072 0.1437 0.6841
Loa Loa (eye worm) hypothetical protein 0.0035 0.0622 0.296
Brugia malayi Carboxylesterase family protein 0.0035 0.0622 0.296
Schistosoma mansoni alpha-1 adrenergic receptor 0.0072 0.1437 0.3785
Echinococcus granulosus neuropeptide receptor 0.0072 0.1437 1
Schistosoma mansoni hypothetical protein 0.0072 0.1437 0.3785

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 uM Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E ChEMBL. No reference
IC50 (binding) = 2 uM Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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