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  


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
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 mansoni amine GPCR Cholecystokinin receptor   444 aa 412 aa 26.2 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin receptor   444 aa 396 aa 23.5 %
Echinococcus granulosus rhodopsin orphan GPCR Cholecystokinin receptor   444 aa 363 aa 19.6 %
Loa Loa (eye worm) hypothetical protein Cholecystokinin receptor   444 aa 380 aa 32.6 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin receptor   444 aa 403 aa 24.1 %
Echinococcus multilocularis orexin receptor type 2 Cholecystokinin receptor   444 aa 362 aa 22.4 %
Schistosoma japonicum FMRFamide receptor, putative Cholecystokinin receptor   444 aa 363 aa 21.2 %
Echinococcus granulosus orexin receptor type 2 Cholecystokinin receptor   444 aa 366 aa 23.5 %
Onchocerca volvulus Cholecystokinin receptor   444 aa 385 aa 28.6 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Cholecystokinin receptor   444 aa 379 aa 24.8 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Cholecystokinin receptor   444 aa 374 aa 24.6 %
Schistosoma mansoni rhodopsin-like orphan GPCR Cholecystokinin receptor   444 aa 380 aa 24.2 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Cholecystokinin receptor   444 aa 395 aa 24.6 %
Echinococcus multilocularis serotonin receptor Cholecystokinin receptor   444 aa 468 aa 22.4 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin receptor   444 aa 396 aa 23.2 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin receptor   444 aa 399 aa 23.3 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Cholecystokinin receptor   444 aa 383 aa 21.7 %
Schistosoma mansoni biogenic amine (5HT) receptor Cholecystokinin receptor   444 aa 362 aa 28.2 %
Echinococcus multilocularis neuropeptides capa receptor Cholecystokinin receptor   444 aa 400 aa 21.0 %
Obtained from network model

Ranking Plot

Putative Targets List

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

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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