Detailed information for compound 305034

Basic information

Technical information
  • TDR Targets ID: 305034
  • Name: (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(1-methyl- 4-phenethylpyrazol-3-yl)piperidin-1-yl]methyl ]-4-phenylpyrrolidin-1-yl]acetic acid
  • MW: 568.792 | Formula: C36H48N4O2
  • H donors: 1 H acceptors: 3 LogP: 4.6 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)[C@H](N1C[C@@H]([C@H](C1)c1ccccc1)CN1CCC(CC1)c1nn(cc1CCc1ccccc1)C)C1CCCCC1
  • InChi: 1S/C36H48N4O2/c1-38-23-31(18-17-27-11-5-2-6-12-27)34(37-38)29-19-21-39(22-20-29)24-32-25-40(26-33(32)28-13-7-3-8-14-28)35(36(41)42)30-15-9-4-10-16-30/h2-3,5-8,11-14,23,29-30,32-33,35H,4,9-10,15-22,24-26H2,1H3,(H,41,42)/t32-,33+,35+/m0/s1
  • InChiKey: CDQNFYDAQGBSAS-VUHKNJSWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(1-methyl-4-phenethyl-pyrazol-3-yl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(1-methyl-4-phenethyl-3-pyrazolyl)-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(1-methyl-4-phenethyl-pyrazol-3-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(1-methyl-4-phenethyl-pyrazol-3-yl)piperidino]methyl]-4-phenyl-pyrrolidino]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-methyl-4-(2-phenylethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-methyl-4-(2-phenylethyl)pyrazol-3-yl]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-methyl-4-(2-phenylethyl)-3-pyrazolyl]-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-methyl-4-(2-phenylethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid
  • (2R)-Cyclohexyl[(3S,4S)-3-({4-[1-methyl-4-(2-phenylethyl)-1H-pyrazol-3-yl]piperidin-1-yl}methyl)-4-phenylpyrrolidin-1-yl]acetic acid
  • AIDS-193304
  • AIDS193304

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 2 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
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0057 0.0498 0.1926
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.002 0.0128
Mycobacterium ulcerans DNA polymerase I 0.0057 0.0498 1
Mycobacterium ulcerans beta-lactamase 0.004 0.0317 0.6366
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.002 0.0139
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0317 0.0412
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.002 0.0139
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.002 0.0139
Onchocerca volvulus 0.004 0.0317 0.0298
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0317 0.1239
Mycobacterium tuberculosis Conserved protein 0.004 0.0317 0.1226
Brugia malayi intermediate filament protein 0.003 0.0213 0.0268
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0187 0.3746
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0317 0.1226
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0317 0.1226
Loa Loa (eye worm) hypothetical protein 0.004 0.0317 0.1341
Entamoeba histolytica hypothetical protein 0.0042 0.0337 1
Mycobacterium tuberculosis Conserved protein 0.004 0.0317 0.1226
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0608 0.3895
Loa Loa (eye worm) hypothetical protein 0.004 0.0317 0.1341
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0219 0.1526
Echinococcus granulosus lamin 0.003 0.0213 0.1483
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.002 0.0128
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.002 0.0128
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0608 0.3895
Brugia malayi DNA polymerase I family protein 0.0016 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0012 0.0025 0.0159
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0608 0.3895
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0213 0.0268
Trichomonas vaginalis esterase, putative 0.004 0.0317 0.1239
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0101 0.0392
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.002 0.0128
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0057 0.0498 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0232 0.1484
Loa Loa (eye worm) beta-lactamase 0.004 0.0317 0.1341
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0066 0.0064
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.002 0.0128
Onchocerca volvulus 0.003 0.0213 0.0194
Loa Loa (eye worm) intermediate filament protein 0.003 0.0213 0.0872
Mycobacterium ulcerans hypothetical protein 0.004 0.0317 0.6366
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.2236 1
Toxoplasma gondii ABC1 family protein 0.004 0.0317 0.0954
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0608 0.3895
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.004 0.0324 0.098
Echinococcus granulosus tar DNA binding protein 0.0067 0.0608 0.423
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0317 0.1226
Loa Loa (eye worm) hypothetical protein 0.004 0.0317 0.1341
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0187 0.4359
Mycobacterium leprae conserved hypothetical protein 0.004 0.0317 0.6366
Echinococcus multilocularis twinkle protein, mitochondrial 0.0012 0.0025 0.0159
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.002 0.0106 0.0136
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0187 0.4359
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.002 0.0139
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.002 0.0139
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0232 0.1484
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.002 0.0128
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.002 0.0139
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0146 0.1438 0.9207
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0317 0.6366
Onchocerca volvulus 0.003 0.0213 0.0194
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0057 0.0498 1
Entamoeba histolytica hypothetical protein 0.0042 0.0337 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0317 0.203
Brugia malayi RNA binding protein 0.0067 0.0608 0.0815
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0187 0.0722
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0049 0.0315
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0232 0.1484
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.004 0.0324 0.098
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0146 0.1438 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0187 0.0449
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0421
Loa Loa (eye worm) hypothetical protein 0.003 0.0213 0.0872
Trypanosoma brucei telomerase reverse transcriptase 0.0261 0.2656 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0187 0.0752
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0261 0.2656 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.002 0.0128
Brugia malayi Telomerase reverse transcriptase 0.0694 0.724 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0187 0.3746
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.002 0.0128
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.004 0.0324 0.098
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0317 0.1239
Loa Loa (eye worm) RNA binding protein 0.0067 0.0608 0.2655
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.002 0.0128
Plasmodium falciparum telomerase reverse transcriptase 0.0261 0.2656 1
Schistosoma mansoni thyroid hormone receptor 0.0157 0.1562 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0421
Schistosoma mansoni lamin 0.003 0.0213 0.1365
Schistosoma mansoni hypothetical protein 0.0012 0.0025 0.0159
Schistosoma mansoni DNA polymerase I 0.0016 0.007 0.0451
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0608 0.3895
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0187 0.3746
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0421
Loa Loa (eye worm) twinkle helicase 0.0012 0.0025 0.0022
Chlamydia trachomatis DNA polymerase I 0.0057 0.0498 1
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0113 0.0165
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0317 0.2205
Brugia malayi Pre-SET motif family protein 0.0032 0.0232 0.0293
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0317 0.203
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0317 0.0954
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0187 0.3746
Onchocerca volvulus 0.0027 0.0187 0.0167
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.004 0.0324 0.098
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0187 0.0231
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.002 0.0128
Schistosoma mansoni hypothetical protein 0.0146 0.1438 0.9207
Schistosoma mansoni lamin 0.003 0.0213 0.1365
Brugia malayi beta-lactamase family protein 0.004 0.0317 0.0412
Schistosoma mansoni hypothetical protein 0.0042 0.0337 0.2156
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0049 0.0342
Loa Loa (eye worm) hypothetical protein 0.0014 0.0043 0.0106
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0317 0.203
Echinococcus multilocularis lamin 0.003 0.0213 0.1365
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0232 0.0624
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0187 0.3746
Echinococcus granulosus lamin dm0 0.003 0.0213 0.1483
Brugia malayi Pre-SET motif family protein 0.0221 0.2236 0.3069
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0232 0.1484
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0317 0.1341
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.002 0.0128
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0317 0.1239
Schistosoma mansoni intermediate filament proteins 0.003 0.0213 0.1365
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0317 0.1239
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0101 0.0392
Plasmodium vivax SET domain protein, putative 0.0032 0.0232 0.0624
Loa Loa (eye worm) hypothetical protein 0.0016 0.007 0.0228
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0113 0.0165
Brugia malayi beta-lactamase family protein 0.004 0.0317 0.0412
Onchocerca volvulus 0.0252 0.2559 0.2545
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0066 0.0208
Brugia malayi MH2 domain containing protein 0.0138 0.1359 0.1854
Echinococcus granulosus twinkle protein mitochondrial 0.0012 0.0025 0.0173
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0317 0.1226
Onchocerca volvulus Twinkle protein, mitochondrial homolog 0.0012 0.0025 0.0005
Loa Loa (eye worm) hypothetical protein 0.0014 0.0043 0.0106
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0101 0.0392
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0421
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0187 0.0449
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0337 0.2156
Loa Loa (eye worm) hypothetical protein 0.0027 0.0187 0.0752
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0232 0.1611
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.004 0.0324 0.098
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0317 0.0954
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.004 0.0324 0.098
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0421
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0317 0.1226
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0337 0.2156
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.002 0.0139
Plasmodium vivax hypothetical protein, conserved 0.004 0.0317 0.0954
Mycobacterium ulcerans 5'-3' exonuclease 0.004 0.0324 0.6501
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.002 0.0139
Brugia malayi TAR-binding protein 0.0067 0.0608 0.0815
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0608 0.0815
Leishmania major telomerase reverse transcriptase, putative 0.0261 0.2656 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0187 0.0752
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0187 0.0449
Echinococcus multilocularis thyroid hormone receptor alpha 0.0157 0.1562 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1359 0.604
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0187 0.3746
Onchocerca volvulus 0.004 0.0317 0.0298
Echinococcus multilocularis musashi 0.003 0.0213 0.1365
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0187 0.3746
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.002 0.0128
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.002 0.0128
Trichomonas vaginalis set domain proteins, putative 0.0252 0.2559 1
Brugia malayi beta-lactamase 0.004 0.0317 0.0412
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0608 0.3895
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0232 0.1484
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0213 0.0872
Treponema pallidum DNA polymerase I (polA) 0.0057 0.0498 1
Onchocerca volvulus 0.0032 0.0232 0.0212
Entamoeba histolytica hypothetical protein 0.0042 0.0337 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0187 0.0231
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0187 0.0231
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0317 0.1226
Trichomonas vaginalis DNA polymerase I, putative 0.0016 0.007 0.0275
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.2586 1
Mycobacterium tuberculosis Probable 5'-3' exonuclease 0.004 0.0324 0.1252
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0113 0.0438
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.002 0.0128
Toxoplasma gondii RNA-directed DNA polymerase 0.0261 0.2656 1
Echinococcus granulosus intermediate filament protein 0.003 0.0213 0.1483
Giardia lamblia Telomerase catalytic subunit 0.0261 0.2656 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0317 0.1226
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0187 0.4359
Mycobacterium tuberculosis Conserved protein 0.004 0.0317 0.1226
Echinococcus multilocularis lamin dm0 0.003 0.0213 0.1365
Mycobacterium ulcerans hypothetical protein 0.0027 0.0187 0.3746
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0101 0.0392
Plasmodium vivax telomerase reverse transcriptase, putative 0.0261 0.2656 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0232 0.1484
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0187 0.3746
Onchocerca volvulus 0.004 0.0317 0.0298
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0608 0.2655
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1359 0.604
Loa Loa (eye worm) hypothetical protein 0.004 0.0317 0.1341
Schistosoma mansoni coup transcription factor 0.0012 0.002 0.0128
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0261 0.2656 1
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0317 0.0954
Loa Loa (eye worm) hypothetical protein 0.004 0.0317 0.1341
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0187 0.3746
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0608 0.2655
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.002 0.0128
Schistosoma mansoni nuclear hormone receptor 0.0012 0.002 0.0128
Leishmania major hypothetical protein, conserved 0.004 0.0317 0.0954
Mycobacterium ulcerans lipase LipD 0.004 0.0317 0.6366
Entamoeba histolytica hypothetical protein 0.0042 0.0337 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0317 0.1341
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.002 0.0128
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0113 0.2272
Brugia malayi hypothetical protein 0.0042 0.0337 0.0439
Loa Loa (eye worm) hypothetical protein 0.0032 0.0232 0.0956
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0187 0.0722
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0317 0.1239
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.002 0.0128
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0317 0.6366
Mycobacterium leprae Probable lipase LipE 0.004 0.0317 0.6366
Schistosoma mansoni thyroid hormone receptor 0.0157 0.1562 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.002 0.0139
Loa Loa (eye worm) hypothetical protein 0.0029 0.0207 0.0846
Loa Loa (eye worm) hypothetical protein 0.0014 0.0049 0.0132
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0337 0.2342

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 23 nM Inhibition of human CX3C chemokine receptor 5 from GP120-membrane-based assay ChEMBL. 15012997
IC50 (binding) = 23 nM Inhibition of human CX3C chemokine receptor 5 from GP120-membrane-based assay ChEMBL. 15012997
IC90 (functional) 0 nM In vitro antiviral activity against HIV-1 infected HeLa cells; Not determined ChEMBL. 15012997

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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