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

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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