Detailed information for compound 376770

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1194.38 | Formula: C61H83N11O14
  • H donors: 13 H acceptors: 13 LogP: 4.74 Rotable bonds: 31
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCC)Cc1ccc(cc1)O)NC(=O)OC(C)(C)C
  • InChi: 1S/C61H83N11O14/c1-6-8-20-42-53(78)65-44(23-15-16-30-63-50(74)29-28-45(72-60(85)86-61(3,4)5)56(81)69-47(57(82)66-42)32-37-24-26-39(73)27-25-37)55(80)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(83)67-43(21-9-7-2)54(79)71-49(34-51(75)76)59(84)68-46(52(62)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64,73H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,77)(H,63,74)(H,65,78)(H,66,82)(H,67,83)(H,68,84)(H,69,81)(H,70,80)(H,71,79)(H,72,85)(H,75,76)/t42-,43-,44-,45-,46-,47+,48-,49-/m0/s1
  • InChiKey: RJGYFDISIBJKFO-FHYJZJLOSA-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
Cavia porcellus 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni rhodopsin-like orphan GPCR Cholecystokinin A receptor   430 aa 378 aa 23.8 %
Echinococcus multilocularis neuropeptides capa receptor Cholecystokinin A receptor   430 aa 414 aa 19.8 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin A receptor   430 aa 398 aa 23.9 %
Onchocerca volvulus Cholecystokinin A receptor   430 aa 397 aa 29.0 %
Schistosoma mansoni biogenic amine (5HT) receptor Cholecystokinin A receptor   430 aa 373 aa 28.4 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Cholecystokinin A receptor   430 aa 373 aa 27.3 %
Schistosoma japonicum FMRFamide receptor, putative Cholecystokinin A receptor   430 aa 364 aa 22.8 %
Echinococcus granulosus rhodopsin orphan GPCR Cholecystokinin A receptor   430 aa 363 aa 19.6 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin A receptor   430 aa 405 aa 24.2 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Cholecystokinin A receptor   430 aa 402 aa 26.1 %
Onchocerca volvulus Cholecystokinin A receptor   430 aa 377 aa 22.3 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Cholecystokinin A receptor   430 aa 382 aa 25.1 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Cholecystokinin A receptor   430 aa 384 aa 21.4 %
Echinococcus multilocularis dro:myosuppressin receptor Cholecystokinin A receptor   430 aa 369 aa 23.0 %
Onchocerca volvulus Phospholipase d-related homolog Cholecystokinin A receptor   430 aa 359 aa 20.9 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Cholecystokinin A receptor   430 aa 381 aa 21.5 %
Echinococcus granulosus biogenic amine 5HT receptor Cholecystokinin A receptor   430 aa 428 aa 23.6 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Cholecystokinin A receptor   430 aa 363 aa 24.5 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Cholecystokinin A receptor   430 aa 395 aa 24.8 %
Echinococcus multilocularis rhodopsin orphan GPCR Cholecystokinin A receptor   430 aa 363 aa 19.3 %
Echinococcus granulosus dro:myosuppressin receptor Cholecystokinin A receptor   430 aa 369 aa 23.0 %
Echinococcus granulosus orexin receptor type 2 Cholecystokinin A receptor   430 aa 383 aa 23.2 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin A receptor   430 aa 415 aa 23.1 %
Onchocerca volvulus Forkhead box protein biniou homolog Cholecystokinin A receptor   430 aa 353 aa 22.1 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Cholecystokinin A receptor   430 aa 383 aa 22.7 %
Echinococcus multilocularis serotonin receptor Cholecystokinin A receptor   430 aa 427 aa 23.7 %
Echinococcus multilocularis orexin receptor type 2 Cholecystokinin A receptor   430 aa 381 aa 23.6 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Cholecystokinin A receptor   430 aa 356 aa 27.5 %
Onchocerca volvulus Cholecystokinin A receptor   430 aa 410 aa 25.4 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Cholecystokinin A receptor   430 aa 375 aa 26.4 %
Schistosoma mansoni amine GPCR Cholecystokinin A receptor   430 aa 409 aa 24.7 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin A receptor   430 aa 414 aa 23.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0162 0.0275
Brugia malayi RNA, U transporter 1 0.0069 0.086 0.0805
Trypanosoma cruzi PAB1-binding protein , putative 0.0041 0.0466 0.223
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0063
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0016 0.0113 0.0053
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0227 0.1006
Brugia malayi RNA binding protein 0.0103 0.1349 0.1297
Trypanosoma brucei DNA polymerase IV, putative 0.0016 0.0113 0.0388
Trypanosoma cruzi PAB1-binding protein , putative 0.0041 0.0466 0.223
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0141 0.1881 0.1832
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388
Schistosoma mansoni hypothetical protein 0.0018 0.0145 0.0085
Trypanosoma cruzi DNA polymerase kappa, putative 0.0016 0.0113 0.0289
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0086 0.1103 0.5
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0018 0.0136 0.0725
Brugia malayi Carboxylesterase family protein 0.0017 0.0123 0.0063
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.018 0.0378
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0086 0.1103 0.2493
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0016 0.0113 0.0053
Schistosoma mansoni blooms syndrome DNA helicase 0.0031 0.0322 0.0263
Trypanosoma cruzi hypothetical protein, conserved 0.0141 0.1881 1
Loa Loa (eye worm) transcription factor SMAD2 0.0095 0.1223 0.117
Loa Loa (eye worm) carboxylesterase 0.0017 0.0123 0.0063
Schistosoma mansoni fatty-acid amide hydrolase 0.0714 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0016 0.0112 0.0053
Brugia malayi hypothetical protein 0.0059 0.0716 0.066
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388
Trypanosoma cruzi amidase, putative 0.0086 0.1103 0.5728
Trypanosoma brucei PAB1-binding protein , putative 0.0041 0.0466 0.2309
Trypanosoma cruzi DNA polymerase kappa, putative 0.0016 0.0113 0.0289
Echinococcus granulosus tar DNA binding protein 0.0103 0.1349 0.1297
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0086 0.1103 0.2493
Brugia malayi putative amidase 0.0086 0.1103 0.105
Echinococcus granulosus neuroligin 0.0017 0.0123 0.0063
Loa Loa (eye worm) carboxylesterase 0.0017 0.0123 0.0063
Leishmania major hypothetical protein, conserved 0.0086 0.1103 0.5728
Mycobacterium leprae probable proteasome (alpha subunit) PrcA 0.0308 0.4245 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0086 0.1103 0.2493
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0018 0.0136 0.2916
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0063
Loa Loa (eye worm) MH2 domain-containing protein 0.0095 0.1223 0.117
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0016 0.0113 0.0289
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0417 0.0359
Schistosoma mansoni tar DNA-binding protein 0.0103 0.1349 0.1297
Schistosoma mansoni gliotactin 0.0017 0.0123 0.0063
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0018 0.0136 0.0076
Onchocerca volvulus 0.0141 0.1881 1
Echinococcus granulosus acetylcholinesterase 0.0017 0.0123 0.0063
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0018 0.0136 0.0725
Entamoeba histolytica hypothetical protein 0.0059 0.0716 1
Entamoeba histolytica recQ family helicase, putative 0.0021 0.018 0.2514
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0016 0.0112 0.0053
Loa Loa (eye worm) carboxylesterase 0.0017 0.0123 0.0063
Leishmania major hypothetical protein, conserved 0.0041 0.0466 0.223
Brugia malayi sulfakinin receptor protein 0.0261 0.3585 0.3546
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0227 0.1006
Schistosoma mansoni neuroligin 3 (S09 family) 0.0017 0.0123 0.0063
Schistosoma mansoni tar DNA-binding protein 0.0103 0.1349 0.1297
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.018 0.0751
Entamoeba histolytica Ran family GTPase 0.0018 0.0136 0.19
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0013 0.006 0.0102
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0086 0.1103 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0259 0.3552 0.3513
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0714 1 1
Echinococcus multilocularis dna polymerase kappa 0.0016 0.0113 0.0053
Loa Loa (eye worm) hypothetical protein 0.0038 0.0417 0.0359
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0112 0.0053
Schistosoma mansoni amidase 0.0714 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0123 0.0063
Echinococcus multilocularis snurportin 1 0.0259 0.3552 0.3513
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0112 0.2411
Echinococcus multilocularis bloom syndrome protein 0.0039 0.0439 0.0381
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0017 0.0123 0.0063
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0026 0.0258 0.5533
Schistosoma mansoni importin beta-1 0.0024 0.0227 0.0168
Loa Loa (eye worm) hypothetical protein 0.0016 0.0112 0.0053
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0017 0.0123 0.0056
Schistosoma mansoni DNA polymerase eta 0.0038 0.0417 0.0359
Trichomonas vaginalis DNA helicase recq1, putative 0.0039 0.0439 0.1841
Trypanosoma cruzi hypothetical protein, conserved 0.0141 0.1881 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0026 0.0258 0.1085
Schistosoma mansoni hypothetical protein 0.0259 0.3552 0.3513
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0063
Echinococcus granulosus importin subunit beta 1 0.0024 0.0227 0.0168
Loa Loa (eye worm) amidase 0.0086 0.1103 0.105
Mycobacterium ulcerans amidase 0.0086 0.1103 0.2397
Loa Loa (eye worm) RecQ helicase 0.0039 0.0439 0.0381
Trypanosoma cruzi DNA polymerase kappa, putative 0.0016 0.0113 0.0289
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0018 0.0136 0.0076
Brugia malayi Calcitonin receptor-like protein seb-1 0.0039 0.0443 0.0385
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0141 0.1881 0.1832
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0063
Mycobacterium tuberculosis Conserved hypothetical protein 0.0016 0.0113 0.0126
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0113 0.0053
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0063
Brugia malayi Lipase family protein 0.0141 0.1881 0.1832
Echinococcus multilocularis neuroligin 0.0017 0.0123 0.0063
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388
Schistosoma mansoni hypothetical protein 0.0059 0.0716 0.066
Brugia malayi hypothetical protein 0.0017 0.0123 0.0063
Mycobacterium ulcerans amidase 0.0086 0.1103 0.2397
Schistosoma mansoni ran 0.0018 0.0136 0.0076
Echinococcus granulosus fatty acid amide hydrolase 1 0.0714 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0018 0.0145 0.0085
Leishmania major DNA polymerase eta, putative 0.0026 0.0258 0.1085
Echinococcus multilocularis carboxylesterase 5A 0.0017 0.0123 0.0063
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0018 0.0136 0.0513
Echinococcus multilocularis BC026374 protein (S09 family) 0.0017 0.0123 0.0063
Brugia malayi Carboxylesterase family protein 0.0017 0.0123 0.0063
Brugia malayi latrophilin 2 splice variant baaae 0.0027 0.0266 0.0207
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0086 0.1103 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0086 0.1103 0.105
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0086 0.1103 0.5
Trypanosoma brucei lipase domain protein, putative 0.0141 0.1881 1
Brugia malayi hypothetical protein 0.0027 0.026 0.0201
Trypanosoma brucei DNA polymerase eta, putative 0.0038 0.0417 0.2039
Trypanosoma brucei lipase domain protein, putative 0.0141 0.1881 1
Schistosoma mansoni hypothetical protein 0.0027 0.0266 0.0207
Leishmania major hypothetical protein, conserved 0.0141 0.1881 1
Brugia malayi Carboxylesterase family protein 0.0017 0.0123 0.0063
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0039 0.0443 0.0385
Schistosoma mansoni DNA helicase recq1 0.0016 0.0112 0.0053
Mycobacterium ulcerans peptide amidase, GatA 0.0086 0.1103 0.2397
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0018 0.0136 0.0076
Trypanosoma cruzi importin beta-1 subunit, putative 0.002 0.0162 0.0556
Leishmania major DNA polymerase kappa, putative 0.0016 0.0113 0.0289
Plasmodium falciparum ataxin-2 like protein, putative 0.0041 0.0466 0.3893
Trichomonas vaginalis DNA helicase recq, putative 0.0039 0.0439 0.1841
Entamoeba histolytica hypothetical protein 0.0059 0.0716 1
Schistosoma mansoni hypothetical protein 0.0277 0.3805 0.3767
Echinococcus multilocularis acetylcholinesterase 0.0017 0.0123 0.0063
Echinococcus granulosus fatty acid amide hydrolase 1 0.0714 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388
Mycobacterium ulcerans amidase 0.0086 0.1103 0.2397
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0017 0.0123 0.015
Plasmodium vivax importin-beta 2, putative 0.0024 0.0227 0.1595
Brugia malayi MH2 domain containing protein 0.0095 0.1223 0.117
Echinococcus granulosus acetylcholinesterase 0.0017 0.0123 0.0063
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0016 0.0112 0.0053
Mycobacterium tuberculosis Carboxylesterase LipT 0.0149 0.1989 0.4608
Leishmania major GTP-binding protein, putative 0.0018 0.0136 0.0415
Echinococcus granulosus GTP binding nuclear protein Ran 0.0018 0.0136 0.0076
Trypanosoma cruzi amidase, putative 0.0086 0.1103 0.5728
Brugia malayi Carboxylesterase family protein 0.0017 0.0123 0.0063
Loa Loa (eye worm) lipase 0.0141 0.1881 0.1832
Schistosoma mansoni hypothetical protein 0.0277 0.3805 0.3767
Brugia malayi Amidase family protein 0.0086 0.1103 0.105
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0086 0.1103 0.105
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0018 0.0136 0.0415
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0027 0.0259 0.1901
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0086 0.1103 0.2493
Echinococcus granulosus bloom syndrome protein 0.0039 0.0439 0.0381
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0112 0.0053
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0059 0.0716 0.066
Echinococcus multilocularis dna polymerase eta 0.0038 0.0417 0.0359
Schistosoma mansoni acetylcholinesterase 0.0017 0.0123 0.0063
Brugia malayi hypothetical protein 0.0041 0.0466 0.0409
Brugia malayi Importin beta-1 subunit 0.0024 0.0227 0.0168
Trichomonas vaginalis spcc417.12 protein, putative 0.0017 0.0123 0.0056
Plasmodium falciparum ataxin-2 like protein, putative 0.0041 0.0466 0.3893
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0063
Toxoplasma gondii HEAT repeat-containing protein 0.0024 0.0227 0.4861
Echinococcus multilocularis para nitrobenzyl esterase 0.0017 0.0123 0.0063
Entamoeba histolytica hypothetical protein 0.0059 0.0716 1
Mycobacterium ulcerans proteasome PrcA 0.0308 0.4245 1
Leishmania major importin beta-1 subunit, putative 0.002 0.0162 0.0556
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0162 0.0275
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0123 0.0063
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0013 0.006 0.0102
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0308 0.4245 1
Brugia malayi RNA recognition motif domain containing protein 0.0103 0.1349 0.1297
Loa Loa (eye worm) hypothetical protein 0.0041 0.0466 0.0409
Mycobacterium ulcerans amidase 0.0086 0.1103 0.2397
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0086 0.1103 0.5772
Schistosoma mansoni tar DNA-binding protein 0.0103 0.1349 0.1297
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0016 0.0112 0.0053
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0112 0.2411
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388
Loa Loa (eye worm) RNA binding protein 0.0103 0.1349 0.1297
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0086 0.1103 0.2397
Loa Loa (eye worm) hypothetical protein 0.0197 0.268 0.2636
Leishmania major DNA polymerase eta, putative 0.0038 0.0417 0.1957
Loa Loa (eye worm) hypothetical protein 0.0039 0.0443 0.0385
Echinococcus multilocularis geminin 0.0277 0.3805 0.3767
Schistosoma mansoni BC026374 protein (S09 family) 0.0017 0.0123 0.0063
Echinococcus multilocularis importin subunit beta 1 0.0024 0.0227 0.0168
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0016 0.0113 0.0053
Trichomonas vaginalis importin beta-1, putative 0.002 0.0162 0.0275
Trypanosoma brucei DNA polymerase IV, putative 0.0016 0.0113 0.0388
Echinococcus granulosus carboxylesterase 5A 0.0017 0.0123 0.0063
Schistosoma mansoni DNA helicase recq5 0.0016 0.0112 0.0053
Mycobacterium ulcerans carboxylesterase, LipT 0.0149 0.1989 0.4539
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0016 0.0113 0.0053
Loa Loa (eye worm) hypothetical protein 0.0261 0.3585 0.3546
Brugia malayi Amidase family protein 0.0086 0.1103 0.105
Loa Loa (eye worm) TAR-binding protein 0.0103 0.1349 0.1297
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0086 0.1103 0.2493
Echinococcus multilocularis acetylcholinesterase 0.0017 0.0123 0.0063
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0123 0.0063
Plasmodium falciparum importin beta, putative 0.0024 0.0227 0.1595
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0016 0.0112 0.0498
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0086 0.1103 0.105
Loa Loa (eye worm) hypothetical protein 0.0714 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0123 0.0063
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0059 0.0716 0.066
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0034 0.0371 0.298
Echinococcus granulosus dna polymerase kappa 0.0016 0.0113 0.0053
Echinococcus multilocularis tar DNA binding protein 0.0103 0.1349 0.1297
Brugia malayi TAR-binding protein 0.0103 0.1349 0.1297
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0016 0.0113 0.0126
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0417 0.1957
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0039 0.0443 0.0385
Toxoplasma gondii isocitrate dehydrogenase 0.0013 0.006 0.1296
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0018 0.0136 0.0415
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0103 0.1349 0.1297
Loa Loa (eye worm) acetylcholinesterase 1 0.0017 0.0123 0.0063
Loa Loa (eye worm) hypothetical protein 0.0024 0.0227 0.0168
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0026 0.0254 0.5452
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0016 0.0112 0.0053
Echinococcus granulosus para nitrobenzyl esterase 0.0017 0.0123 0.0063
Schistosoma mansoni fatty-acid amide hydrolase 0.0086 0.1103 0.105
Trypanosoma brucei DNA polymerase IV, putative 0.0016 0.0113 0.0388
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0063
Echinococcus granulosus dna polymerase eta 0.0038 0.0417 0.0359
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.018 0.0656
Mycobacterium ulcerans amidase 0.0086 0.1103 0.2397
Schistosoma mansoni transcription factor LCR-F1 0.0059 0.0716 0.066
Plasmodium vivax ataxin-2 like protein, putative 0.0041 0.0466 0.3893
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388
Toxoplasma gondii LsmAD domain-containing protein 0.0041 0.0466 1
Loa Loa (eye worm) amidase 0.0086 0.1103 0.105
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0018 0.0136 1
Giardia lamblia DINP protein human, muc B family 0.0016 0.0113 0.0281
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0086 0.1103 0.105
Schistosoma mansoni tar DNA-binding protein 0.0103 0.1349 0.1297
Brugia malayi hypothetical protein 0.0261 0.3585 0.3546
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0018 0.0145 0.0085
Entamoeba histolytica deoxycytidyl transferase, putative 0.0016 0.0113 0.158
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0086 0.1103 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0266 0.0207
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.018 0.0656
Echinococcus granulosus snurportin 1 0.0259 0.3552 0.3513
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0714 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0017 0.0123 0.015
Trichomonas vaginalis ran, putative 0.0018 0.0136 0.013
Echinococcus granulosus geminin 0.0277 0.3805 0.3767
Schistosoma mansoni tar DNA-binding protein 0.0103 0.1349 0.1297
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0017 0.0123 0.0063
Brugia malayi Carboxylesterase family protein 0.0017 0.0123 0.0063
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0063
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0063
Trichomonas vaginalis lipase containing protein, putative 0.0141 0.1881 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0016 0.0113 0.0053
Schistosoma mansoni ran 0.0018 0.0136 0.0076
Toxoplasma gondii isocitrate dehydrogenase 0.0013 0.006 0.1296
Trypanosoma cruzi DNA polymerase kappa, putative 0.0016 0.0113 0.0289
Entamoeba histolytica hypothetical protein 0.002 0.0162 0.226
Entamoeba histolytica hypothetical protein 0.0059 0.0716 1
Trypanosoma brucei unspecified product 0.0016 0.0113 0.0388
Echinococcus granulosus BC026374 protein S09 family 0.0017 0.0123 0.0063
Echinococcus granulosus fatty acid amide hydrolase 1 0.0086 0.1103 0.105
Trichomonas vaginalis lipase containing protein, putative 0.0141 0.1881 1
Brugia malayi Carboxylesterase family protein 0.0017 0.0123 0.0063
Brugia malayi Bloom's syndrome protein homolog 0.0039 0.0439 0.0381
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0113 0.0388

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 27.5 nM Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes ChEMBL. 2724293
Ki (binding) = 27.5 nM Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes ChEMBL. 2724293
Ki (binding) = 1250 nM Displacement of 0.1 nM [3H]-pCCK-8 from guinea pig pancreatic membranes ChEMBL. 2724293
Ki (binding) = 1250 nM Displacement of 0.1 nM [3H]-pCCK-8 from guinea pig pancreatic membranes ChEMBL. 2724293
Ratio (binding) = 45.4 Relative affinity for guinea pig membranes of pancreas and brain ChEMBL. 2724293

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.

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