Detailed information for compound 59831

Basic information

Technical information
  • TDR Targets ID: 59831
  • Name: 1-(4-chlorophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrol idin-1-ylethyl)-5-phenyl-3H-1,4-benzodiazepin -3-yl]urea
  • MW: 515.991 | Formula: C28H26ClN5O3
  • H donors: 2 H acceptors: 3 LogP: 4.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)N1CCCC1)cccc2
  • InChi: 1S/C28H26ClN5O3/c29-20-12-14-21(15-13-20)30-28(37)32-26-27(36)34(18-24(35)33-16-6-7-17-33)23-11-5-4-10-22(23)25(31-26)19-8-2-1-3-9-19/h1-5,8-15,26H,6-7,16-18H2,(H2,30,32,37)
  • InChiKey: ZBDUNBHRAGZXHV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-chlorophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
  • 1-(4-chlorophenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
  • 1-(4-chlorophenyl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
  • 3-(4-chlorophenyl)-1-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
  • 3-(4-chlorophenyl)-1-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
  • 3-(4-chlorophenyl)-1-[2-oxo-1-(2-oxo-2-1-pyrrolidinylethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
  • 3-(4-chlorophenyl)-1-[2-keto-1-(2-keto-2-pyrrolidin-1-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Cholecystokinin A receptor Starlite/ChEMBL References
Homo sapiens cholecystokinin B receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
Brugia malayi sulfakinin receptor protein Get druggable targets OG5_132882 All targets in OG5_132882
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus g protein coupled receptor Cholecystokinin A receptor   444 aa 399 aa 23.3 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Cholecystokinin A receptor   444 aa 374 aa 24.6 %
Schistosoma mansoni rhodopsin-like orphan GPCR Cholecystokinin A receptor   444 aa 380 aa 24.2 %
Echinococcus granulosus orexin receptor type 2 Cholecystokinin A receptor   444 aa 366 aa 23.5 %
Onchocerca volvulus Cholecystokinin A receptor   444 aa 385 aa 28.6 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Cholecystokinin A receptor   444 aa 383 aa 21.7 %
Echinococcus granulosus rhodopsin orphan GPCR Cholecystokinin A receptor   444 aa 363 aa 19.6 %
Schistosoma mansoni amine GPCR Cholecystokinin A receptor   444 aa 412 aa 26.2 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin A receptor   444 aa 396 aa 23.2 %
Echinococcus multilocularis neuropeptides capa receptor Cholecystokinin A receptor   444 aa 400 aa 21.0 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Cholecystokinin A receptor   444 aa 364 aa 28.6 %
Echinococcus multilocularis orexin receptor type 2 Cholecystokinin A receptor   444 aa 362 aa 22.4 %
Echinococcus multilocularis serotonin receptor Cholecystokinin A receptor   444 aa 468 aa 22.4 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Cholecystokinin A receptor   444 aa 395 aa 24.6 %
Schistosoma mansoni biogenic amine (5HT) receptor Cholecystokinin A receptor   444 aa 362 aa 28.2 %
Schistosoma japonicum FMRFamide receptor, putative Cholecystokinin A receptor   444 aa 363 aa 21.2 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Cholecystokinin A receptor   444 aa 379 aa 24.8 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin A receptor   444 aa 403 aa 24.1 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin A receptor   444 aa 396 aa 23.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0449 0.1625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0449 0.1625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Brugia malayi Papain family cysteine protease containing protein 0.0045 0.0449 0.1426
Loa Loa (eye worm) hypothetical protein 0.008 0.0864 0.2819
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0045 0.0449 0.1604
Brugia malayi cathepsin L precursor 0.0045 0.0449 0.1426
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0045 0.0449 0.1175
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0045 0.0449 0.1604
Brugia malayi Cathepsin L-like precursor 0.0242 0.2764 0.9221
Trypanosoma brucei cysteine peptidase C (CPC) 0.0045 0.0449 0.0313
Onchocerca volvulus 0.0242 0.2764 1
Plasmodium falciparum serine repeat antigen 7 0.0045 0.0449 0.1175
Echinococcus granulosus cathepsin l1 0.0242 0.2764 0.7163
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0449 0.1604
Brugia malayi Cathepsin L-like cysteine proteinase 0.0162 0.1825 0.6061
Schistosoma mansoni ap endonuclease 0.0018 0.0141 0.0485
Onchocerca volvulus 0.0162 0.1825 0.6261
Echinococcus multilocularis cysteine protease 0.0242 0.2764 0.7163
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Brugia malayi cathepsin Z-like cysteine proteinase 0.0045 0.0449 0.1426
Giardia lamblia Cathepsin L precursor 0.0045 0.0449 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0242 0.2764 1
Entamoeba histolytica cysteine proteinase, putative 0.0242 0.2764 1
Giardia lamblia Cathepsin L precursor 0.0045 0.0449 1
Trypanosoma cruzi cysteine peptidase, putative 0.0857 1 1
Giardia lamblia Cathepsin L precursor 0.0045 0.0449 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0864 0.2819
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0449 0.1604
Onchocerca volvulus 0.0242 0.2764 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0124 0.1388 0.5021
Plasmodium vivax unspecified product 0.0124 0.1388 0.4753
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0777 0.9062 0.9048
Leishmania major cathepsin L-like protease 0.0857 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.008 0.0864 0.0733
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Plasmodium falciparum serine repeat antigen 6 0.0045 0.0449 0.1175
Loa Loa (eye worm) hypothetical protein 0.0045 0.0449 0.1422
Entamoeba histolytica cysteine protease, putative 0.0045 0.0449 0.1175
Echinococcus multilocularis cathepsin L 0.0045 0.0449 0.1149
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0124 0.1388 0.1264
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0045 0.0449 0.1175
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Loa Loa (eye worm) hypothetical protein 0.0045 0.0449 0.1422
Onchocerca volvulus 0.0242 0.2764 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0255 0.0766
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0449 0.1604
Brugia malayi Papain family cysteine protease containing protein 0.0045 0.0449 0.1426
Loa Loa (eye worm) hypothetical protein 0.0162 0.1825 0.6059
Entamoeba histolytica cysteine proteinase, putative 0.0124 0.1388 0.4753
Entamoeba histolytica cysteine protease, putative 0.0045 0.0449 0.1175
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0242 0.2764 1
Giardia lamblia Hypothetical protein 0.0045 0.0449 1
Leishmania major cathepsin L-like protease 0.0242 0.2764 0.266
Schistosoma mansoni hypothetical protein 0.0165 0.1867 0.6747
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0449 0.1604
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0045 0.0449 0.1175
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Giardia lamblia Hypothetical protein 0.0045 0.0449 1
Schistosoma mansoni cathepsin B (C01 family) 0.0045 0.0449 0.1604
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0242 0.2764 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0449 0.1604
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1388 0.1264
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0027 0.0052
Entamoeba histolytica cysteine proteinase, putative 0.0162 0.1825 0.6422
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0045 0.0449 0.1175
Schistosoma mansoni cpg binding protein 0.003 0.0273 0.0965
Brugia malayi cathepsin F-like cysteine proteinase 0.0045 0.0449 0.1426
Schistosoma mansoni cpg binding protein 0.0028 0.0255 0.0897
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Entamoeba histolytica cysteine protease, putative 0.0242 0.2764 1
Plasmodium falciparum serine repeat antigen 9 0.0045 0.0449 0.1175
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0449 0.1604
Trypanosoma cruzi cysteine peptidase, putative 0.0857 1 1
Entamoeba histolytica cysteine protease, putative 0.0045 0.0449 0.1175
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0242 0.2764 0.9221
Echinococcus granulosus cathepsin l cysteine peptidase 0.0242 0.2764 0.7163
Onchocerca volvulus 0.0242 0.2764 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0045 0.0449 0.1625
Trypanosoma cruzi cysteine protease, putative 0.0124 0.1388 0.1264
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0045 0.0449 0.0313
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0045 0.0449 0.1625
Echinococcus multilocularis cathepsin L cysteine protease 0.0242 0.2764 0.7163
Loa Loa (eye worm) cathepsin B 0.0045 0.0449 0.1422
Leishmania major cathepsin L-like protease 0.0242 0.2764 0.266
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0242 0.2764 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0141 0.5
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0045 0.0449 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0045 0.0449 0.1426
Brugia malayi hypothetical protein 0.0261 0.2995 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0124 0.1388 0.5008
Giardia lamblia Cathepsin B precursor 0.0045 0.0449 1
Brugia malayi Cathepsin L-like precursor 0.0162 0.1825 0.6061
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0045 0.0449 0.1625
Trypanosoma cruzi cysteine peptidase, putative 0.0857 1 1
Echinococcus multilocularis cathepsin L 0.0124 0.1388 0.3587
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0045 0.0449 0.1175
Toxoplasma gondii cathepsin CPC1 0.0045 0.0449 0.1175
Plasmodium falciparum cysteine proteinase falcipain 1 0.0124 0.1388 0.4753
Entamoeba histolytica cysteine protease, putative 0.0045 0.0449 0.1175
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0141 0.0387
Loa Loa (eye worm) hypothetical protein 0.0045 0.0449 0.1422
Entamoeba histolytica hypothetical protein 0.0045 0.0449 0.1175
Schistosoma mansoni cathepsin S (C01 family) 0.0045 0.0449 0.1604
Loa Loa (eye worm) hypothetical protein 0.0261 0.2995 1
Giardia lamblia Cysteine protease 0.0045 0.0449 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0045 0.0449 0.1625
Giardia lamblia Cathepsin L precursor 0.0045 0.0449 1
Entamoeba histolytica cysteine proteinase, putative 0.0124 0.1388 0.4753
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0449 0.1625
Giardia lamblia Cathepsin B precursor 0.0045 0.0449 1
Leishmania major cathepsin L-like protease 0.0242 0.2764 0.266
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Entamoeba histolytica cysteine proteinase 1, putative 0.0124 0.1388 0.4753
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0141 0.0348
Loa Loa (eye worm) hypothetical protein 0.0045 0.0449 0.1422
Echinococcus multilocularis cpg binding protein 0.003 0.0273 0.0691
Plasmodium vivax serine-repeat antigen (SERA) 0.0045 0.0449 0.1175
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0045 0.0449 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0242 0.2764 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0242 0.2764 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0449 0.1422
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0242 0.2764 0.7163
Brugia malayi cathepsin B-like cysteine proteinase 0.0045 0.0449 0.1426
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0045 0.0449 0.1604
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0242 0.2764 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0242 0.2764 0.7163
Onchocerca volvulus 0.0049 0.0501 0.0981
Entamoeba histolytica cysteine proteinase 2 0.0124 0.1388 0.4753
Loa Loa (eye worm) cysteine protease 0.0242 0.2764 0.9221
Brugia malayi Papain family cysteine protease containing protein 0.0045 0.0449 0.1426
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0162 0.1825 0.6605
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0045 0.0449 0.1604
Giardia lamblia Cysteine protease 0.0045 0.0449 1
Brugia malayi Cathepsin L-like precursor 0.0242 0.2764 0.9221
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0045 0.0449 0.1625
Schistosoma mansoni hypothetical protein 0.0165 0.1867 0.6747
Trypanosoma cruzi cysteine peptidase, putative 0.0124 0.1388 0.1264
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0141 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0045 0.0449 0.1625
Echinococcus multilocularis geminin 0.0165 0.1867 0.4833
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0124 0.1388 0.5021
Brugia malayi cathepsin F-like cysteine proteinase 0.008 0.0864 0.2822
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0045 0.0449 0.1175
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0242 0.2764 1
Schistosoma mansoni cathepsin F (C01 family) 0.0162 0.1825 0.6596
Leishmania major cathepsin L-like protease 0.0242 0.2764 0.266
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0141 0.051
Giardia lamblia Cathepsin L-like protease 0.0045 0.0449 1
Echinococcus granulosus cpg binding protein 0.003 0.0273 0.0691
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0045 0.0449 0.1625
Schistosoma mansoni cpg binding protein 0.003 0.0273 0.0965
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0045 0.0449 0.0313
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0449 0.1625
Trypanosoma cruzi cysteine proteinase, putative 0.0124 0.1388 0.1264
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0449 0.1422
Loa Loa (eye worm) hypothetical protein 0.0045 0.0449 0.1422
Brugia malayi sulfakinin receptor protein 0.0261 0.2995 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.008 0.0864 0.2822
Loa Loa (eye worm) hypothetical protein 0.008 0.0864 0.2819
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Brugia malayi fibroinase precursor 0.0045 0.0449 0.1426
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0242 0.2764 1
Leishmania major cathepsin L-like protease 0.0857 1 1
Brugia malayi Cathepsin L-like precursor 0.0242 0.2764 0.9221
Echinococcus multilocularis cathepsin L cysteine protease 0.0242 0.2764 0.7163
Plasmodium falciparum serine repeat antigen 3 0.0045 0.0449 0.1175
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0623 0.2236
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0141 0.0348
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0124 0.1388 0.4586
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0501 0.179
Onchocerca volvulus Cathepsin L homolog 0.0045 0.0449 0.0776
Plasmodium falciparum serine repeat antigen 2 0.0045 0.0449 0.1175
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0045 0.0449 0.1625
Schistosoma mansoni cathepsin s 0.008 0.0864 0.3107
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0045 0.0449 0.0313
Echinococcus granulosus cathepsin L 0.0124 0.1388 0.3587
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0045 0.0449 1
Loa Loa (eye worm) ctsf protein 0.0242 0.2764 0.9221
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0045 0.0449 0.1175
Onchocerca volvulus 0.0242 0.2764 1
Onchocerca volvulus Cathepsin F homolog 0.0242 0.2764 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Giardia lamblia Cathepsin L precursor 0.0045 0.0449 1
Entamoeba histolytica cysteine proteinase, putative 0.0124 0.1388 0.4753
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0242 0.2764 1
Plasmodium vivax vivapain-2 0.0242 0.2764 1
Echinococcus granulosus cathepsin L cysteine protease 0.0124 0.1388 0.3587
Echinococcus multilocularis cathepsin b 0.0045 0.0449 0.1149
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0162 0.1825 0.6605
Schistosoma mansoni cathepsin C 0.0045 0.0449 0.1604
Loa Loa (eye worm) fibroinase 0.0242 0.2764 0.9221
Giardia lamblia Cathepsin B precursor 0.0045 0.0449 1
Trypanosoma cruzi cysteine proteinase, putative 0.0124 0.1388 0.1264
Giardia lamblia Cysteine protease 0.0045 0.0449 1
Onchocerca volvulus 0.0242 0.2764 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0242 0.2764 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.1825 0.6059
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0045 0.0449 0.1175
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0549 0.1555
Entamoeba histolytica cysteine protease, putative 0.0045 0.0449 0.1175
Echinococcus granulosus cathepsin l1 0.0162 0.1825 0.4725
Plasmodium vivax vivapain-2 0.0242 0.2764 1
Echinococcus multilocularis cathepsin b 0.0045 0.0449 0.1149
Giardia lamblia Cathepsin L precursor 0.0045 0.0449 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0045 0.0449 0.1422
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0045 0.0449 0.1175
Plasmodium falciparum serine repeat antigen 1 0.0045 0.0449 0.1175
Plasmodium falciparum serine repeat antigen 4 0.0045 0.0449 0.1175
Schistosoma mansoni cathepsin F (C01 family) 0.0242 0.2764 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0045 0.0449 0.1426
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0141 0.051
Brugia malayi cathepsin L-like cysteine proteinase 0.0045 0.0449 0.1426
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0045 0.0449 0.1604
Plasmodium vivax serine-repeat antigen (SERA) 0.0045 0.0449 0.1175
Brugia malayi Cathepsin L-like precursor 0.0162 0.1825 0.6061
Trypanosoma cruzi major cysteine proteinase, putative 0.066 0.7685 0.7652
Echinococcus granulosus cathepsin L 0.0045 0.0449 0.1149
Brugia malayi CXXC zinc finger family protein 0.0028 0.0255 0.077
Giardia lamblia Cathepsin B precursor 0.0045 0.0449 1
Brugia malayi cathepsin L-like precursor 0.0162 0.1825 0.6061
Plasmodium falciparum serine repeat antigen 5 0.0045 0.0449 0.1175
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Plasmodium falciparum serine repeat antigen 8 0.0045 0.0449 0.1175
Plasmodium vivax vivapain-3 0.0124 0.1388 0.4753
Giardia lamblia Cathepsin L-like protease 0.0045 0.0449 1
Echinococcus granulosus cathepsin b 0.0045 0.0449 0.1149
Plasmodium vivax unspecified product 0.0045 0.0449 0.1175
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0045 0.0449 0.0313
Giardia lamblia Encystation-specific protease 0.0045 0.0449 1
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Loa Loa (eye worm) hypothetical protein 0.0162 0.1825 0.6059
Entamoeba histolytica cysteine proteinase, putative 0.0242 0.2764 1
Echinococcus granulosus cysteine protease 0.0124 0.1388 0.3587
Giardia lamblia Cathepsin B precursor 0.0045 0.0449 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0045 0.0449 0.1175
Echinococcus granulosus tumor protein p63 0.0334 0.3855 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.008 0.0864 0.2819
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0045 0.0449 0.1422
Leishmania major cathepsin L-like protease 0.0242 0.2764 0.266
Giardia lamblia Cysteine protease 0.0045 0.0449 1
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Entamoeba histolytica cysteine protease, putative 0.0045 0.0449 0.1175
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0045 0.0449 0.1625
Trypanosoma cruzi cruzipain precursor, putative 0.0857 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0242 0.2764 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0124 0.1388 0.5008
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0027 0.0052
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0045 0.0449 0.1625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Brugia malayi Cathepsin L-like precursor 0.008 0.0864 0.2822
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0045 0.0449 0.1625
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0045 0.0449 0.1175
Echinococcus multilocularis cysteine protease 0.0242 0.2764 0.7163
Echinococcus multilocularis tumor protein p63 0.0334 0.3855 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Onchocerca volvulus 0.0242 0.2764 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0045 0.0449 0.1422
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0449 0.1625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0242 0.2764 0.9221
Echinococcus granulosus cathepsin b 0.0045 0.0449 0.1149
Entamoeba histolytica cysteine protease, putative 0.0124 0.1388 0.4753
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0449 0.1625
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0045 0.0449 0.1175
Echinococcus granulosus cathepsin L cysteine proteinase 0.0242 0.2764 0.7163
Entamoeba histolytica cysteine proteinase, putative 0.0124 0.1388 0.4753
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0045 0.0449 0.1625
Trypanosoma cruzi cruzipain precursor, putative 0.008 0.0864 0.0733
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0242 0.2764 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0449 0.1625
Toxoplasma gondii cathepsin CPC2 0.0045 0.0449 0.1175
Schistosoma mansoni ap endonuclease 0.0018 0.0141 0.0485
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1388 0.1264
Schistosoma mansoni cathepsin F (C01 family) 0.0242 0.2764 1
Giardia lamblia Cathepsin B precursor 0.0045 0.0449 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0242 0.2764 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0141 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0045 0.0449 0.1175
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0857 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0449 0.1604
Giardia lamblia Cathepsin B precursor 0.0045 0.0449 1
Leishmania major cysteine peptidase A (CPA) 0.0242 0.2764 0.266
Toxoplasma gondii cathepsin B 0.0045 0.0449 0.1175
Trypanosoma cruzi cysteine peptidase, putative 0.0242 0.2764 0.266
Brugia malayi Cathepsin L-like precursor 0.0242 0.2764 0.9221
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0449 0.1604
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0242 0.2764 1
Onchocerca volvulus Cathepsin L homolog 0.0242 0.2764 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0124 0.1388 0.5008
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0141 0.0383
Brugia malayi Cathepsin L-like precursor 0.0242 0.2764 0.9221
Echinococcus granulosus geminin 0.0165 0.1867 0.4833
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0449 0.1625
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0045 0.0449 0.1175
Toxoplasma gondii preprocathepsin c precursor, putative 0.0045 0.0449 0.1175
Plasmodium vivax vivapain-1 0.0124 0.1388 0.4753
Loa Loa (eye worm) hypothetical protein 0.0242 0.2764 0.9221
Brugia malayi Cathepsin L-like precursor 0.0242 0.2764 0.9221
Giardia lamblia Cathepsin B precursor 0.0045 0.0449 1
Toxoplasma gondii cathepsin CPL 0.0242 0.2764 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0045 0.0449 0.1604
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0045 0.0449 1
Plasmodium vivax unspecified product 0.008 0.0864 0.2756
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0045 0.0449 0.1175
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0141 0.5
Onchocerca volvulus Cathepsin L homolog 0.0242 0.2764 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0501 0.1595
Onchocerca volvulus 0.0045 0.0449 0.0776
Brugia malayi Papain family cysteine protease containing protein 0.0124 0.1388 0.4586
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0242 0.2764 0.9221

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.28 nM Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig cerebral cortex ChEMBL. 2909725
IC50 (binding) = 0.28 nM Ability to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cortex. ChEMBL. No reference
IC50 (binding) = 0.28 nM Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig cerebral cortex ChEMBL. 2909725
IC50 (binding) = 0.28 nM Ability to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cortex. ChEMBL. No reference
IC50 (binding) = 0.5 nM Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands ChEMBL. 2909725
IC50 (binding) = 0.5 nM Ability to inhibit the binding of [125I]-gastrin to gastric glands in guinea pig. ChEMBL. No reference
IC50 (binding) = 0.5 nM Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands ChEMBL. 2909725
IC50 (binding) = 0.5 nM Ability to inhibit the binding of [125I]-gastrin to gastric glands in guinea pig. ChEMBL. No reference
IC50 (binding) = 520 nM Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancreas ChEMBL. 2909725
IC50 (binding) = 520 nM Ability to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas. ChEMBL. No reference
IC50 (binding) = 520 nM Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancreas ChEMBL. 2909725
IC50 (binding) = 520 nM Ability to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas. ChEMBL. No reference
IC50 (binding) = 0.0014 uM Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor ChEMBL. 8277510
IC50 (binding) = 0.0016 uM Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor ChEMBL. 8277510
IC50 (binding) = 0.0016 uM Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor ChEMBL. 8277510
IC50 (binding) = 0.013 uM Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor ChEMBL. 8277510
IC50 (binding) = 0.9 uM Inhibition of binding of [125I]-CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue ChEMBL. 8277510
IC50 (binding) = 1 uM Inhibition of binding of [125I]-CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue ChEMBL. 8277510
IC50 (binding) = 1 uM Inhibition of binding of [125I]-CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue ChEMBL. 8277510
IC50 (binding) = 2.5 uM Inhibition of binding of [125I]-CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue ChEMBL. 8277510
Selectivity ratio (binding) = 192 Selectivity ratio between CCK-B and CCK-A receptor ChEMBL. 8277510
Selectivity ratio (binding) = 625 Selectivity ratio between CCK-B and CCK-A receptor ChEMBL. 8277510
Selectivity ratio (binding) = 643 Selectivity ratio between CCK-B and CCK-A receptor ChEMBL. 8277510

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

2 literature references were collected for this gene.

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