Detailed information for compound 1852986

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 843.939 | Formula: C44H54FN7O9
  • H donors: 8 H acceptors: 8 LogP: 3.96 Rotable bonds: 29
    Rule of 5 violations (Lipinski): 3
  • SMILES: O=C(CCc1ccc(cc1)F)NCCCC[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)OC(C)(C)C
  • InChi: 1S/C44H54FN7O9/c1-44(2,3)61-43(60)52-35(24-29-26-48-32-14-8-7-13-31(29)32)41(58)49-33(15-9-10-22-47-37(53)21-18-27-16-19-30(45)20-17-27)40(57)51-36(25-38(54)55)42(59)50-34(39(46)56)23-28-11-5-4-6-12-28/h4-8,11-14,16-17,19-20,26,33-36,48H,9-10,15,18,21-25H2,1-3H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t33-,34-,35-,36-/m0/s1
  • InChiKey: WIOLZBJHNBDQLE-ZYADHFCISA-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
Brugia malayi sulfakinin receptor 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
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
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Cholecystokinin A receptor   430 aa 381 aa 21.5 %
Schistosoma japonicum FMRFamide receptor, putative Cholecystokinin A receptor   430 aa 364 aa 22.8 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Cholecystokinin A receptor   430 aa 373 aa 27.3 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Cholecystokinin A receptor   430 aa 395 aa 24.8 %
Onchocerca volvulus Cholecystokinin A receptor   430 aa 377 aa 22.3 %
Echinococcus multilocularis rhodopsin orphan GPCR Cholecystokinin A receptor   430 aa 363 aa 19.3 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin A receptor   430 aa 415 aa 23.1 %
Schistosoma mansoni rhodopsin-like orphan GPCR Cholecystokinin A receptor   430 aa 378 aa 23.8 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Cholecystokinin A receptor   430 aa 363 aa 24.5 %
Echinococcus granulosus dro:myosuppressin receptor Cholecystokinin A receptor   430 aa 369 aa 23.0 %
Echinococcus granulosus biogenic amine 5HT receptor Cholecystokinin A receptor   430 aa 428 aa 23.6 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Cholecystokinin A receptor   430 aa 382 aa 25.1 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Cholecystokinin A receptor   430 aa 383 aa 22.7 %
Onchocerca volvulus Phospholipase d-related homolog Cholecystokinin A receptor   430 aa 359 aa 20.9 %
Echinococcus granulosus rhodopsin orphan GPCR Cholecystokinin A receptor   430 aa 363 aa 19.6 %
Onchocerca volvulus Cholecystokinin A receptor   430 aa 397 aa 29.0 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin A receptor   430 aa 405 aa 24.2 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin A receptor   430 aa 414 aa 23.4 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Cholecystokinin A receptor   430 aa 356 aa 27.5 %
Schistosoma mansoni amine GPCR Cholecystokinin A receptor   430 aa 409 aa 24.7 %
Echinococcus granulosus orexin receptor type 2 Cholecystokinin A receptor   430 aa 383 aa 23.2 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Cholecystokinin A receptor   430 aa 375 aa 26.4 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Cholecystokinin A receptor   430 aa 402 aa 26.1 %
Echinococcus multilocularis neuropeptides capa receptor Cholecystokinin A receptor   430 aa 414 aa 19.8 %
Onchocerca volvulus Forkhead box protein biniou homolog Cholecystokinin A receptor   430 aa 353 aa 22.1 %
Echinococcus multilocularis serotonin receptor Cholecystokinin A receptor   430 aa 427 aa 23.7 %
Echinococcus multilocularis dro:myosuppressin receptor Cholecystokinin A receptor   430 aa 369 aa 23.0 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Cholecystokinin A receptor   430 aa 384 aa 21.4 %
Onchocerca volvulus Cholecystokinin A receptor   430 aa 410 aa 25.4 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin A receptor   430 aa 398 aa 23.9 %
Echinococcus multilocularis orexin receptor type 2 Cholecystokinin A receptor   430 aa 381 aa 23.6 %
Schistosoma mansoni biogenic amine (5HT) receptor Cholecystokinin A receptor   430 aa 373 aa 28.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0012 0.0011
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Echinococcus granulosus cpg binding protein 0.0031 0.0023 0.0023
Schistosoma mansoni intermediate filament proteins 0.0028 0.0021 0.0021
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0012 0.2053
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.0252 0.0252
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0013 0.0005 0.0004
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0012 0.0357
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.009 0.009
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0014 0.0005 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Brugia malayi dihydrofolate reductase family protein 0.0053 0.0047 0.0047
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0008 0.0008
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0029 0.0029
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.0252 0.0252
Echinococcus multilocularis neuropeptide s receptor 0.0471 0.0491 0.0491
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0056 0.4349
Brugia malayi hypothetical protein 0.0036 0.0029 0.0029
Onchocerca volvulus 0.0029 0.0022 0.0092
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0012 0.0012
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0056 0.0056
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0012 0.0212
Echinococcus granulosus thymidylate synthase 0.013 0.0129 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0056 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0008 0.0008
Brugia malayi intermediate filament protein 0.0028 0.0021 0.002
Treponema pallidum bacterioferrin (TpF1) 0.0009 0 0.5
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0183 0.0185 1
Leishmania major DNA polymerase eta, putative 0.0019 0.0012 0.0212
Echinococcus multilocularis dihydrofolate reductase 0.0053 0.0047 0.0047
Brugia malayi isocitrate dehydrogenase 0.0016 0.0008 0.0008
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0012 0.0012
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0022 0.0021
Echinococcus granulosus dna polymerase eta 0.0019 0.0012 0.0012
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0053 0.0047 0.366
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0044 0.0044
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0183 0.0185 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.009 0.009
Loa Loa (eye worm) thymidylate synthase 0.013 0.0129 0.0128
Brugia malayi Dihydrofolate reductase 0.0053 0.0047 0.0047
Schistosoma mansoni survival motor neuron protein 0.005 0.0044 0.0044
Trypanosoma brucei unspecified product 0.0019 0.0012 0.0357
Brugia malayi hypothetical protein 0.0264 0.0271 0.027
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0007 0.0007
Leishmania major hypothetical protein, conserved 0.0025 0.0018 0.0569
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0008 0.0148
Entamoeba histolytica hypothetical protein 0.0036 0.0029 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0008 0.0007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.009 0.009
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.013 0.0129 1
Echinococcus multilocularis cpg binding protein 0.0031 0.0023 0.0023
Echinococcus granulosus dna polymerase kappa 0.0019 0.0012 0.0012
Echinococcus granulosus neuropeptide s receptor 0.0471 0.0491 0.0491
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.009 0.009
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0005 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Brugia malayi hypothetical protein 0.0016 0.0008 0.0008
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0183 0.0185 1
Schistosoma mansoni lamin 0.0028 0.0021 0.0021
Brugia malayi hypothetical protein 0.0025 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0028 0.0021 0.002
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0183 0.0185 1
Echinococcus granulosus dihydrofolate reductase 0.0053 0.0047 0.0047
Echinococcus multilocularis musashi 0.0028 0.0021 0.0021
Brugia malayi hypothetical protein 0.0246 0.0252 0.0251
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0012 0.0901
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0056 0.4349
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0012 0.0012
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0018 0.0569
Echinococcus multilocularis dna polymerase eta 0.0019 0.0012 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0056 0.4349
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0183 0.0185 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0021 0.002
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0018 0.0569
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.013 0.0129 1
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.9436 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0696 0.0729 0.0729
Mycobacterium tuberculosis Hypothetical protein 0.0062 0.0056 0.4387
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Echinococcus granulosus neuropeptide receptor A26 0.0471 0.0491 0.0491
Schistosoma mansoni hypothetical protein 0.0011 0.0003 0.0003
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0012 0.0357
Leishmania major DNA polymerase kappa, putative 0.0019 0.0012 0.0212
Schistosoma mansoni hypothetical protein 0.005 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0019 0.0012 0.0011
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0012 0.0212
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.9436 1 1
Brugia malayi hypothetical protein 0.0062 0.0056 0.0056
Brugia malayi thymidylate synthase 0.013 0.0129 0.0128
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0012 0.0011
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0008 0.0609
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0008 0.0008
Loa Loa (eye worm) dihydrofolate reductase 0.0053 0.0047 0.0047
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0012 0.0011
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Echinococcus granulosus lamin dm0 0.0028 0.0021 0.0021
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0021 0.002
Echinococcus granulosus intermediate filament protein 0.0028 0.0021 0.0021
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0053 0.0047 0.366
Chlamydia trachomatis dihydrofolate reductase 0.0053 0.0047 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0056 0.2718
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0012 0.0212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.009 0.009
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.013 0.0129 0.0129
Echinococcus multilocularis neuropeptide receptor A26 0.0471 0.0491 0.0491
Loa Loa (eye worm) hypothetical protein 0.0025 0.0018 0.0017
Brugia malayi CXXC zinc finger family protein 0.0029 0.0022 0.0021
Schistosoma mansoni DNA polymerase eta 0.0019 0.0012 0.0012
Schistosoma mansoni cpg binding protein 0.0031 0.0023 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0012 0.0357
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0008 0.0008
Echinococcus multilocularis thymidylate synthase 0.013 0.0129 0.0129
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.9436 1 1
Echinococcus multilocularis tumor protein p63 0.0341 0.0353 0.0353
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0012 0.0212
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0049 0.2336
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0056 0.0056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.009 0.009
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0018 0.0709
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0007 0.0006
Entamoeba histolytica hypothetical protein 0.0036 0.0029 1
Echinococcus multilocularis microtubule associated protein 2 0.0696 0.0729 0.0729
Schistosoma mansoni cpg binding protein 0.0031 0.0023 0.0023
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0008 0.0008
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0012 0.2053
Loa Loa (eye worm) hypothetical protein 0.0028 0.002 0.002
Onchocerca volvulus 0.013 0.0129 1
Schistosoma mansoni dihydrofolate reductase 0.0053 0.0047 0.0047
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0008 0.0008
Entamoeba histolytica hypothetical protein 0.0036 0.0029 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0008 0.0008
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0021 0.002
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0012 0.0212
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0012 0.0212
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0012 0.0901
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0012 0.0357
Echinococcus multilocularis lamin dm0 0.0028 0.0021 0.0021
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0018 0.0569
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0012 0.0012
Brugia malayi sulfakinin receptor protein 0.0264 0.0271 0.027
Echinococcus granulosus lamin 0.0028 0.0021 0.0021
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0062 0.0056 0.2746
Schistosoma mansoni lamin 0.0028 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0013 0.0005 0.0004
Loa Loa (eye worm) hypothetical protein 0.0246 0.0252 0.0251
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0003 0.0003
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0012 0.0012
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0018 0.0569
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0056 0.0056
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0056 0.2718
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0056 0.0056
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0018 0.0569
Loa Loa (eye worm) hypothetical protein 0.0264 0.0271 0.027
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0008 0.0008
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0008 0.0148
Giardia lamblia DINP protein human, muc B family 0.0019 0.0012 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0029 0.0029
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0036 0.0029 0.0029
Echinococcus granulosus microtubule associated protein 2 0.0696 0.0729 0.0729
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0029 0.0029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.009 0.009
Schistosoma mansoni cpg binding protein 0.0029 0.0022 0.0022
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0012 0.0901
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0018 0.0569
Onchocerca volvulus 0.005 0.0044 0.2149
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.009 0.009
Echinococcus multilocularis lamin 0.0028 0.0021 0.0021
Onchocerca volvulus 0.005 0.0044 0.2173
Loa Loa (eye worm) hypothetical protein 0.9436 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.0029 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0012 0.0357
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0183 0.0185 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0056 0.0056
Mycobacterium ulcerans thymidylate synthase 0.013 0.0129 1
Echinococcus granulosus tumor protein p63 0.0341 0.0353 0.0353
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0056 0.4349
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0012 0.0901
Loa Loa (eye worm) hypothetical protein 0.005 0.0044 0.0043
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0053 0.0047 0.366
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0044 0.0044

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 250 nm Inhibition of specific binding of [125I]-BH-CCK-8 in guinea pig pancreas. ChEMBL. 1375964
IC50 (binding) = 9900 nm Inhibition of specific binding of [125I]-BH-CCK-8 in guinea pig cortex ChEMBL. 1375964

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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