Detailed information for compound 1598491

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.469 | Formula: C26H21FN4O2
  • H donors: 2 H acceptors: 2 LogP: 3.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CN1C(=O)[C@H](N=C(c2c1cccc2)c1ccccc1F)Cc1c[nH]c2c1cccc2
  • InChi: 1S/C26H21FN4O2/c27-20-10-4-1-8-18(20)25-19-9-3-6-12-23(19)31(15-24(28)32)26(33)22(30-25)13-16-14-29-21-11-5-2-7-17(16)21/h1-12,14,22,29H,13,15H2,(H2,28,32)/t22-/m1/s1
  • InChiKey: OREYHRFTKKKARD-JOCHJYFZSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Cholecystokinin receptor Starlite/ChEMBL References
Homo sapiens cholecystokinin B receptor Starlite/ChEMBL 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
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Cholecystokinin receptor   444 aa 364 aa 28.6 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Cholecystokinin receptor   444 aa 374 aa 24.6 %
Schistosoma mansoni amine GPCR Cholecystokinin receptor   444 aa 412 aa 26.2 %
Echinococcus multilocularis neuropeptides capa receptor Cholecystokinin receptor   444 aa 400 aa 21.0 %
Schistosoma mansoni rhodopsin-like orphan GPCR Cholecystokinin receptor   444 aa 380 aa 24.2 %
Onchocerca volvulus Cholecystokinin receptor   444 aa 385 aa 28.6 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Cholecystokinin receptor   444 aa 383 aa 21.7 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin receptor   444 aa 403 aa 24.1 %
Echinococcus granulosus rhodopsin orphan GPCR Cholecystokinin receptor   444 aa 363 aa 19.6 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Cholecystokinin receptor   444 aa 379 aa 24.8 %
Schistosoma japonicum FMRFamide receptor, putative Cholecystokinin receptor   444 aa 363 aa 21.2 %
Echinococcus multilocularis orexin receptor type 2 Cholecystokinin receptor   444 aa 362 aa 22.4 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin receptor   444 aa 399 aa 23.3 %
Schistosoma mansoni biogenic amine (5HT) receptor Cholecystokinin receptor   444 aa 362 aa 28.2 %
Loa Loa (eye worm) hypothetical protein Cholecystokinin receptor   444 aa 380 aa 32.6 %
Echinococcus multilocularis serotonin receptor Cholecystokinin receptor   444 aa 468 aa 22.4 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin receptor   444 aa 396 aa 23.5 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin receptor   444 aa 396 aa 23.2 %
Echinococcus granulosus orexin receptor type 2 Cholecystokinin receptor   444 aa 366 aa 23.5 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Cholecystokinin receptor   444 aa 395 aa 24.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei short-chain dehydrogenase, putative 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0114 1 0.5
Echinococcus granulosus carbonyl reductase 1 0.0114 1 1
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0114 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0114 1 1
Trypanosoma cruzi short chain dehydrogenase, putative 0.0114 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0114 1 1
Onchocerca volvulus 0.0114 1 1
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0114 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0114 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0114 1 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0114 1 0.5
Brugia malayi Dehydrogenases, short chain protein 2 0.0114 1 1
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0114 1 1
Echinococcus multilocularis steroid dehydrogenase 0.0114 1 1
Onchocerca volvulus 0.0114 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0114 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0114 1 1
Onchocerca volvulus 0.0114 1 1
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Leishmania major short chain dehydrogenase/reductase, putative 0.0114 1 1
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0114 1 0.5
Mycobacterium ulcerans dehydrogenase/reductase 0.0114 1 0.5
Leishmania major hypothetical protein, conserved 0.0114 1 1
Loa Loa (eye worm) oxidoreductase 0.0114 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0114 1 0.5
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0114 1 0.5
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0114 1 0.5
Schistosoma mansoni carbonyl reductase 0.0114 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0047 0.0294 0.0294
Entamoeba histolytica short chain dehydrogenase family protein 0.0114 1 0.5
Plasmodium falciparum steroid dehydrogenase, putative 0.0114 1 0.5
Mycobacterium ulcerans oxidoreductase 0.0114 1 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0114 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0047 0.0294 0.0294
Loa Loa (eye worm) dehydrogenase 0.0114 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0114 1 0.5
Mycobacterium leprae Probable oxidoreductase 0.0114 1 0.5
Onchocerca volvulus 0.0114 1 1
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0114 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0114 1 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0114 1 0.5
Echinococcus multilocularis retinol dehydrogenase 13 0.0114 1 1
Echinococcus granulosus retinol dehydrogenase 11 0.0114 1 1
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0114 1 1
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0114 1 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 1 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0114 1 1
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0114 1 1
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0114 1 0.5
Entamoeba histolytica hypothetical protein 0.0114 1 0.5
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0114 1 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Onchocerca volvulus 0.0114 1 1
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Leishmania major short chain dehydrogenase, putative 0.0114 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0047 0.0294 0.0294
Echinococcus multilocularis carbonyl reductase 1 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Giardia lamblia Hypothetical protein 0.0114 1 0.5
Echinococcus granulosus oxidoreductase 0.0114 1 1
Brugia malayi dehydrogenases, short chain protein 9 0.0114 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Loa Loa (eye worm) oxidoreductase 0.0114 1 1
Echinococcus granulosus steroid dehydrogenase 0.0114 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Leishmania major hypothetical protein, conserved 0.0114 1 1
Plasmodium vivax hypothetical protein, conserved 0.0114 1 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0114 1 1
Loa Loa (eye worm) dehydrogenase 0.0114 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0047 0.0294 0.0294
Echinococcus granulosus carbonyl reductase 1 0.0114 1 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0114 1 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0114 1 1
Brugia malayi dehydrogenases, short chain protein 2 0.0114 1 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0114 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0114 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0114 1 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0114 1 1
Echinococcus granulosus carbonyl reductase 1 0.0114 1 1
Echinococcus granulosus retinol dehydrogenase 11 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0114 1 0.5
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0114 1 1
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0114 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0114 1 0.5
Trichomonas vaginalis steroid dehydrogenase, putative 0.0114 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Leishmania major hypothetical protein, conserved 0.0114 1 1
Brugia malayi Retinol dehydrogenase 12 0.0114 1 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0114 1 1
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0114 1 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.0114 1 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Loa Loa (eye worm) oxidoreductase 0.0114 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0047 0.0294 0.0294
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0114 1 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 0.5
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0114 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0114 1 1
Leishmania major hypothetical protein, conserved 0.0114 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0114 1 1
Mycobacterium ulcerans oxidoreductase 0.0114 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0114 1 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0047 0.0294 0.0294
Trypanosoma brucei oxidoreductase-like protein 0.0114 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0114 1 1
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Onchocerca volvulus 0.0114 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0114 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0114 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0114 1 1
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0114 1 0.5
Brugia malayi hypothetical protein 0.0114 1 1
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0114 1 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0114 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0114 1 1
Mycobacterium ulcerans carveol-like dehydrogenase 0.0114 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0047 0.0294 0.0294
Brugia malayi oxidoreductase 0.0114 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0114 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0114 1 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0114 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0114 1 1
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0114 1 0.5
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0114 1 0.5
Toxoplasma gondii oxidoreductase, putative 0.0114 1 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0047 0.0294 0.0294
Toxoplasma gondii oxidoreductase, putative 0.0114 1 0.5
Echinococcus multilocularis oxidoreductase 0.0114 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0114 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0114 1 0.5
Leishmania major hypothetical protein, conserved 0.0114 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0047 0.0294 0.0294
Onchocerca volvulus 0.0114 1 1
Leishmania major pteridine reductase 1 0.0114 1 1
Mycobacterium ulcerans ketoacyl reductase 0.0114 1 0.5
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0114 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Onchocerca volvulus 0.0114 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0047 0.0294 0.0294
Echinococcus multilocularis FTZ F1 alpha 0.0047 0.0294 0.0294
Trypanosoma cruzi hypothetical protein, conserved 0.0114 1 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0114 1 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0114 1 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0114 1 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0114 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0114 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Onchocerca volvulus 0.0114 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0114 1 0.5
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0114 1 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0114 1 1
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0114 1 0.5
Brugia malayi hypothetical protein 0.0114 1 1
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0114 1 0.5
Onchocerca volvulus 0.0114 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0047 0.0294 0.0294
Trypanosoma cruzi hypothetical protein, conserved 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Echinococcus multilocularis carbonyl reductase 1 0.0114 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0047 0.0294 0.0294
Plasmodium vivax steroid dehydrogenase, putative 0.0114 1 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0114 1 1
Loa Loa (eye worm) oxidoreductase 0.0114 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0114 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Toxoplasma gondii carbonyl reductase 1, putative 0.0114 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Echinococcus granulosus hypothetical protein 0.0114 1 1
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0114 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0114 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0114 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Onchocerca volvulus 0.0114 1 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0114 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0114 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0047 0.0294 0.0294
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0114 1 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0114 1 0.5
Leishmania major dehydrogenase-like protein 0.0114 1 1
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0114 1 1
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0114 1 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0114 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0114 1 1
Leishmania major short chain dehydrogenase, putative 0.0114 1 1
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0114 1 0.5
Echinococcus granulosus carbonyl reductase 1 0.0114 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0114 1 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0114 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0114 1 1
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0114 1 1
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0114 1 0.5
Mycobacterium ulcerans short-chain type oxidoreductase 0.0114 1 0.5
Schistosoma mansoni retinal dehydrogenase 0.0114 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0114 1 0.5
Giardia lamblia Reductase, putative 0.0114 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0114 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0114 1 0.5
Onchocerca volvulus 0.0114 1 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0114 1 1
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0114 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0114 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0114 1 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0114 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Echinococcus granulosus hypothetical protein 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0047 0.0294 0.0294
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0114 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0047 0.0294 0.0294
Echinococcus granulosus FTZ F1 alpha 0.0047 0.0294 0.0294
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0114 1 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0114 1 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0114 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Schistosoma mansoni carbonyl reductase 0.0114 1 1
Schistosoma mansoni short chain dehydrogenase 0.0114 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0114 1 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.0114 1 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0114 1 0.5
Mycobacterium ulcerans dehydrogenase 0.0114 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0114 1 0.5
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0114 1 1
Onchocerca volvulus 0.0114 1 1
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0114 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0047 0.0294 0.0294
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0114 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0114 1 1
Leishmania major short chain dehydrogenase-like protein 0.0114 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0114 1 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0114 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Echinococcus granulosus WW domain containing oxidoreductase 0.0114 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0114 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0114 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0114 1 0.5
Leishmania major oxidoreductase-like protein 0.0114 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0114 1 1
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0114 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0114 1 0.5
Onchocerca volvulus Sepiapterin reductase homolog 0.0114 1 1
Schistosoma mansoni carbonyl reductase 0.0114 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0114 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0114 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0114 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0114 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0114 1 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0114 1 0.5
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0114 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0114 1 1
Brugia malayi Dehydrogenases, short chain protein 30 0.0114 1 1
Echinococcus multilocularis carbonyl reductase 1 0.0114 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.1 uM Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor ChEMBL. 2885419
IC50 (functional) > 10 uM Half-maximal inhibition of binding of [125I]-gastrin to guinea pig gastric glands ChEMBL. 2885419
IC50 (binding) = 66 uM Half-maximal inhibition of [125I]-CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptor ChEMBL. 2885419

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

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.