Detailed information for compound 18587

Basic information

Technical information
  • TDR Targets ID: 18587
  • Name: 1-N-[(4-carbamimidoylphenyl)methyl]-2-N-cyclo hexylcyclopentene-1,2-dicarboxamide
  • MW: 368.473 | Formula: C21H28N4O2
  • H donors: 3 H acceptors: 2 LogP: 2.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1=C(CCC1)C(=O)NC1CCCCC1)NCc1ccc(cc1)C(=N)N
  • InChi: 1S/C21H28N4O2/c22-19(23)15-11-9-14(10-12-15)13-24-20(26)17-7-4-8-18(17)21(27)25-16-5-2-1-3-6-16/h9-12,16H,1-8,13H2,(H3,22,23)(H,24,26)(H,25,27)
  • InChiKey: MNIWDISRJPPDGU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N1-[(4-carbamimidoylphenyl)methyl]-N2-cyclohexyl-cyclopentene-1,2-dicarboxamide
  • N1-[(4-carbamimidoylphenyl)methyl]-N2-cyclohexylcyclopentene-1,2-dicarboxamide
  • N-(4-amidinobenzyl)-N'-cyclohexyl-cyclopentene-1,2-dicarboxamide
  • N-[(4-carbamimidoylphenyl)methyl]-N'-cyclohexylcyclopentene-1,2-dicarboxamide
  • N-[(4-carbamimidoylphenyl)methyl]-N'-cyclohexyl-cyclopentene-1,2-dicarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0535 0.9036
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0056 0.0518
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0043 0.0038
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0617 0.3888
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0292 0.4953
Echinococcus multilocularis ATPase, H+ transporting, lysosomal accessory 0.0385 0.4393 0.4378
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.059 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0292 0.4953
Onchocerca volvulus 0.0083 0.0794 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0535 0.8618
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.059 0.129
Brugia malayi hypothetical protein 0.025 0.2776 0.6296
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0535 0.9036
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0292 0.4953
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0043 0.0038
Echinococcus granulosus vacuolar ATP synthase subunit b 0.0033 0.0199 0.0394
Brugia malayi MAP kinase sur-1 0.0062 0.0535 0.1165
Leishmania major ATPase alpha subunit 0.0027 0.0126 0.1767
Onchocerca volvulus ATP synthase subunit alpha, mitochondrial homolog 0.0033 0.0196 0.2031
Entamoeba histolytica V-type ATPase, B subunit, putative 0.0033 0.0199 0.3056
Echinococcus multilocularis thyroid hormone receptor alpha 0.0146 0.1545 0.1523
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0043 0.0038
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1024 0.6569
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0043 0.0038
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.2776 0.2757
Brugia malayi hypothetical protein 0.0385 0.4393 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0535 0.1165
Echinococcus granulosus ATPase H transporting lysosomal accessory 0.0385 0.4393 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0043 0.0038
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0043 0.0038
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0043 0.0038
Mycobacterium tuberculosis Probable ATP synthase alpha chain AtpA 0.0033 0.0196 1
Toxoplasma gondii kringle domain-containing protein 0.0021 0.0056 0.0292
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0043 0.011
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0043 0.011
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0043 0.011
Plasmodium falciparum V-type proton ATPase subunit B 0.0033 0.0199 1
Plasmodium vivax vacuolar ATP synthase subunit b, putative 0.0033 0.0199 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0043 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0043 0.0038
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0535 0.051
Loa Loa (eye worm) hypothetical protein 0.002 0.0043 0.0038
Schistosoma mansoni hypothetical protein 0.0021 0.0056 0.0192
Giardia lamblia DINP protein human, muc B family 0.0021 0.0054 0.0531
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0043 0.0038
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0794 0.1758
Chlamydia trachomatis V-type ATP synthase subunit B 0.0033 0.0199 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0043 0.0038
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0043 0.011
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0081 0.2056
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0043 0.0038
Schistosoma mansoni thyroid hormone receptor 0.0146 0.1545 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0794 0.5054
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0103 0.1024 0.2285
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0043 0.0017
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0258 0.053
Brugia malayi Kringle domain containing protein 0.0021 0.0056 0.0067
Toxoplasma gondii melibiase subfamily protein 0.0103 0.1024 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0535 0.3351
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0292 0.4953
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0027 0.0126 0.2138
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0535 1
Leishmania major DNA polymerase kappa, putative 0.0021 0.0054 0.048
Loa Loa (eye worm) hypothetical protein 0.0385 0.4393 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.059 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0043 0.0038
Schistosoma mansoni survival motor neuron protein 0.0051 0.0409 0.2516
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1024 0.6569
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0103 0.1024 0.1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.059 1
Brugia malayi nuclear hormone receptor 0.002 0.0043 0.0038
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0081 0.3173
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0409 0.0875
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0794 0.077
Onchocerca volvulus 0.0051 0.0409 0.4867
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0535 0.1165
Trypanosoma brucei protein kinase, putative 0.0062 0.0535 0.9079
Schistosoma mansoni nuclear hormone receptor 0.002 0.0043 0.011
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0056 0.1695
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0043 0.0038
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1024 0.6569
Mycobacterium ulcerans F0F1 ATP synthase subunit alpha 0.0033 0.0196 0.6373
Schistosoma mansoni hypothetical protein 0.0051 0.0409 0.2516
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0535 0.9036
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0535 0.9036
Loa Loa (eye worm) hypothetical protein 0.002 0.0043 0.0038
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0535 0.1165
Entamoeba histolytica hypothetical protein 0.0023 0.0081 0.097
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0173 0.2934
Echinococcus granulosus survival motor neuron protein 1 0.025 0.2776 0.6296
Leishmania major hypothetical protein, conserved 0.0021 0.0056 0.0518
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0081 0.2056
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0043 0.0038
Giardia lamblia Vacuolar ATP synthase subunit B 0.0033 0.0199 0.3382
Echinococcus multilocularis vacuolar ATP synthase subunit b 0.0033 0.0199 0.0173
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.059 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0043 0.0038
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0292 0.4953
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0292 0.4497
Schistosoma mansoni ATP synthase alpha subunit mitochondrial 0.0033 0.0196 0.1114
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0056 0.0067
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0043 0.0038
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0043 0.011
Leishmania major ATPase alpha subunit 0.0027 0.0126 0.1767
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.059 0.129
Trichomonas vaginalis ATP synthase alpha subunit mitochondrial, putative 0.0033 0.0199 0.2915
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0292 0.4497
Brugia malayi steroid hormone receptor 0.002 0.0043 0.0038
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0043 0.0017
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD 0.0033 0.0196 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0043 0.0038
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0027 0.0451
Loa Loa (eye worm) hypothetical protein 0.002 0.0043 0.0038
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0617 0.3888
Mycobacterium leprae PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA 0.0033 0.0196 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0292 0.4953
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0292 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0081 0.3173
Loa Loa (eye worm) hypothetical protein 0.0031 0.0173 0.0335
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0043 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0292 0.4953
Leishmania major vacuolar ATP synthase subunit b, putative 0.0033 0.0199 0.3056
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0043 0.0038
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0081 0.1377
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0258 0.0232
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0043 0.011
Onchocerca volvulus 0.0021 0.0056 0.0165
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.059 0.3708
Toxoplasma gondii vacuolar ATP synthase subunit b, putative 0.0033 0.0199 0.1725
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0535 0.9079
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0081 0.3173
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1024 0.6569
Brugia malayi nuclear receptor NHR-88 0.002 0.0043 0.0038
Echinococcus granulosus ATP synthase subunit alpha mitochondrial 0.0033 0.0196 0.0388
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0043 0.011
Brugia malayi Melibiase family protein 0.0068 0.0617 0.1352
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0043 0.0038
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0535 0.8618
Loa Loa (eye worm) hypothetical protein 0.0021 0.0056 0.0067
Loa Loa (eye worm) hypothetical protein 0.002 0.0043 0.0038
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0292 0.0266
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0056 0.0029
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.0617 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0292 0.4715
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0043 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0043 0.0038
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0081 0.3226
Plasmodium falciparum ATP synthase F1, alpha subunit 0.0033 0.0196 0.9833
Echinococcus granulosus dna polymerase kappa 0.0041 0.0292 0.0608
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0535 0.8618
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0535 0.9036
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0043 0.011
Echinococcus granulosus FTZ F1 alpha 0.002 0.0043 0.0038
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0103 0.1024 0.1
Trypanosoma cruzi V-type proton ATPase subunit B, putative 0.0033 0.0199 0.3056
Schistosoma mansoni coup transcription factor 0.002 0.0043 0.011
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0043 0.0038
Treponema pallidum V-type ATP synthase subunit B 0.0033 0.0199 1
Loa Loa (eye worm) hypothetical protein 0.025 0.2776 0.6296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0043 0.0038
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0535 0.051
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0043 0.0017
Loa Loa (eye worm) hypothetical protein 0.002 0.0043 0.0038
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0081 0.0547
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0292 0.4715
Trichomonas vaginalis ATP synthase, putative 0.0033 0.0199 0.2915
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0056 0.1695
Trypanosoma brucei unspecified product 0.0035 0.0213 0.3619
Brugia malayi Protein kinase domain containing protein 0.0021 0.0056 0.0067
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0292 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0043 0.0038
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.059 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0081 0.0547
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0056 0.0067
Schistosoma mansoni ATP synthase subunit beta vacuolar 0.0033 0.0199 0.1133
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.059 0.129
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0081 0.097
Loa Loa (eye worm) vacuolar ATP synthase subunit B 0.0033 0.0199 0.0394
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0043 0.011
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0292 0.4953
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0535 0.5101
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0292 0.4953
Loa Loa (eye worm) hypothetical protein 0.002 0.0043 0.0038
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0794 0.1758
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0054 0.048
Mycobacterium leprae PROBABLE ATP SYNTHASE BETA CHAIN ATPD 0.0033 0.0196 1
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0043 0.0038
Brugia malayi ecdysteroid receptor 0.002 0.0043 0.0038
Schistosoma mansoni thyroid hormone receptor 0.0146 0.1545 1
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0027 0.0126 0.2138
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit alpha 0.0033 0.0196 1
Brugia malayi vacuolar ATP synthase subunit B 0.0033 0.0199 0.0394
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0054 0.0909
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0043 0.0017
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.1304 0.2926
Brugia malayi polk-prov protein 0.0031 0.0173 0.0335
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0043 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0043 0.0038
Brugia malayi ATP synthase alpha chain, mitochondrial precursor, putative 0.0033 0.0196 0.0388
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.059 0.0565
Echinococcus multilocularis ATP synthase subunit alpha, mitochondrial 0.0033 0.0196 0.017
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0292 0.4715
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0043 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0292 0.4953
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0043 0.0038
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0292 0.4715
Schistosoma mansoni hypothetical protein 0.0126 0.1304 0.8412
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0213 0.3619
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0535 0.8618
Loa Loa (eye worm) hypothetical protein 0.0068 0.0617 0.1352
Plasmodium vivax ATP synthase alpha chain, putative 0.0033 0.0196 0.9833
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0043 0.0038
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.1304 0.1281
Treponema pallidum V-type ATP synthase subunit B 0.0033 0.0199 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0794 0.1758
Trypanosoma cruzi Vacuolar proton pump subunit B, putative 0.0033 0.0199 0.3056
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0173 0.2934
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0292 0.4953
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0043 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0043 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0043 0.0038
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0054 0.1596
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0535 0.9036
Trypanosoma brucei Vacuolar proton pump subunit B, putative 0.0033 0.0199 0.3369
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0081 0.3226
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0043 0.0017
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0043 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0043 0.0038

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 19 uM In vitro inhibitory concentration of compound against human thrombin ChEMBL. 12646027
IC50 (binding) = 19 uM In vitro inhibitory concentration of compound against human thrombin ChEMBL. 12646027

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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