Detailed information for compound 304306

Basic information

Technical information
  • TDR Targets ID: 304306
  • Name: (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(4-pheneth yl-2-propylpyrazol-3-yl)piperidin-1-yl]methyl ]-4-phenylpyrrolidin-1-yl]acetic acid
  • MW: 596.845 | Formula: C38H52N4O2
  • H donors: 1 H acceptors: 3 LogP: 5.43 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCn1ncc(c1C1CCN(CC1)C[C@H]1CN(C[C@@H]1c1ccccc1)[C@H](C1CCCCC1)C(=O)O)CCc1ccccc1
  • InChi: 1S/C38H52N4O2/c1-2-22-42-36(33(25-39-42)19-18-29-12-6-3-7-13-29)32-20-23-40(24-21-32)26-34-27-41(28-35(34)30-14-8-4-9-15-30)37(38(43)44)31-16-10-5-11-17-31/h3-4,6-9,12-15,25,31-32,34-35,37H,2,5,10-11,16-24,26-28H2,1H3,(H,43,44)/t34-,35+,37+/m0/s1
  • InChiKey: PCDLAZBOJIOXQD-UQDPWRLZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(4-phenethyl-2-propyl-pyrazol-3-yl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(4-phenethyl-2-propyl-3-pyrazolyl)-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(4-phenethyl-2-propyl-pyrazol-3-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(4-phenethyl-2-propyl-pyrazol-3-yl)piperidino]methyl]-4-phenyl-pyrrolidino]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[4-(2-phenylethyl)-2-propylpyrazol-3-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[4-(2-phenylethyl)-2-propyl-pyrazol-3-yl]-1-piperidyl]methyl]pyrrolidin-1-yl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[4-(2-phenylethyl)-2-propyl-3-pyrazolyl]-1-piperidinyl]methyl]-1-pyrrolidinyl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[4-(2-phenylethyl)-2-propyl-pyrazol-3-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid
  • (2R)-Cyclohexyl[(3S,4S)-3-phenyl-4-({4-[4-(2-phenylethyl)-1-propyl-1H-pyrazol-5-yl]piperidin-1-yl}methyl)pyrrolidin-1-yl]acetic acid
  • AIDS-193301
  • AIDS193301

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 lipase LipD 0.0107 0.0657 0.1367
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0657 0.1608
Onchocerca volvulus 0.013 0.0816 0.1998
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.013 0.0816 0.0816
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0334 0.0334
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0586 0.4086 0.8501
Mycobacterium tuberculosis Probable esterase LipL 0.0107 0.0657 0.1367
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0107 0.0657 0.1608
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0157 0.0383
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0016 0.0001 0.0002
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0657 0.1608
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0586 0.4086 1
Schistosoma mansoni smad1 5 8 and 0.0016 0.0001 0.0001
Plasmodium falciparum proteasome subunit beta type-5 0.0209 0.1384 0.3386
Onchocerca volvulus 0.013 0.0816 0.1998
Leishmania major eukaryotic initiation factor 4a, putative 0.0586 0.4086 1
Brugia malayi hypothetical protein 0.013 0.0816 0.1998
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0028 0.0068
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0016 0.0001 0.0001
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0586 0.4086 0.4086
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0071 0.0173
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0047 0.0226 0.0553
Giardia lamblia GTOR 0.0047 0.0226 0.0553
Schistosoma mansoni Smad4 0.0016 0.0001 0.0001
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.013 0.0816 0.0816
Trypanosoma cruzi target of rapamycin kinase 3 0.0038 0.0157 0.0384
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0107 0.0262
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Echinococcus multilocularis microtubule associated protein 2 0.141 1 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0816 0.1998
Echinococcus multilocularis glycoprotein Antigen 5 0.013 0.0816 0.0816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.009 0.0219
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.013 0.0816 0.0816
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.013 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.0107 0.0657 0.1608
Trypanosoma brucei hypothetical protein, conserved 0.0107 0.0657 0.1608
Brugia malayi Trypsin family protein 0.013 0.0816 0.1998
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0657 0.1608
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0071 0.0173
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0209 0.1384 0.3386
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0586 0.4086 0.4086
Mycobacterium ulcerans proteasome PrcB 0.0209 0.1384 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0209 0.1384 0.3386
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.013 0.0816 0.0816
Schistosoma mansoni flap endonuclease-1 0.0023 0.0053 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.009 0.0219
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0686 0.4807 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0209 0.1384 0.3386
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.013 0.0816 0.0816
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.013 0.0816 0.0816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.009 0.0219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.007 0.0171
Onchocerca volvulus 0.013 0.0816 0.1998
Echinococcus granulosus flap endonuclease 1 0.0026 0.0071 0.0071
Brugia malayi MH1 domain containing protein 0.0016 0.0001 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0001 0.0002
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.013 0.0816 0.1998
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0071 0.0173
Loa Loa (eye worm) hypothetical protein 0.0586 0.4086 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0209 0.1384 0.3386
Brugia malayi beta-lactamase family protein 0.0107 0.0657 0.1608
Loa Loa (eye worm) MH2 domain-containing protein 0.0232 0.1551 0.3796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.007 0.0171
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0107 0.0657 0.475
Brugia malayi beta-lactamase family protein 0.0107 0.0657 0.1608
Toxoplasma gondii target of rapamycin (TOR), putative 0.0035 0.0139 0.034
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0001 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0139 0.034
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0657 0.1608
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0001 0.0001
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0586 0.4086 1
Onchocerca volvulus 0.0107 0.0657 0.1608
Loa Loa (eye worm) Smad1 0.0016 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0107 0.0657 0.1608
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0088 0.0214
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0047 0.0116
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0001 0.0001
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0107 0.0657 0.1608
Mycobacterium tuberculosis Conserved protein 0.0107 0.0657 0.1367
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0001 0.0001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0657 0.0657
Mycobacterium tuberculosis Probable hydrolase 0.0107 0.0657 0.1367
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0157 0.0383
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0139 0.034
Loa Loa (eye worm) hypothetical protein 0.013 0.0816 0.1998
Schistosoma mansoni microtubule-associated protein tau 0.141 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0334 0.0334
Plasmodium falciparum flap endonuclease 1 0.0026 0.0071 0.0173
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0209 0.1384 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.007 0.0171
Leishmania major proteasome beta 5 subunit, putative 0.0209 0.1384 0.3386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0157 0.0383
Brugia malayi Flap endonuclease-1 0.0026 0.0071 0.0173
Echinococcus granulosus proteasome prosome macropain 0.0209 0.1384 0.1384
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0016 0.0001 0.0001
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0038 0.0157 0.0384
Mycobacterium tuberculosis Conserved protein 0.0107 0.0657 0.1367
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0047 0.0226 0.0553
Brugia malayi beta-lactamase 0.0107 0.0657 0.1608
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0209 0.1384 0.1384
Echinococcus granulosus eukaryotic initiation factor 4A 0.0586 0.4086 0.4086
Onchocerca volvulus 0.0107 0.0657 0.1608
Brugia malayi Trypsin family protein 0.013 0.0816 0.1998
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0586 0.4086 0.4086
Leishmania major eukaryotic initiation factor 4a, putative 0.0586 0.4086 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0816 0.1998
Echinococcus granulosus Mastin 0.013 0.0816 0.0816
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0047 0.0226 0.0553
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0114 0.028
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0047 0.0226 0.0226
Brugia malayi Trypsin-like protease protein 5 0.013 0.0816 0.1998
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Echinococcus granulosus Smad4 0.0016 0.0001 0.0001
Leishmania major hypothetical protein, conserved 0.0107 0.0657 0.1608
Onchocerca volvulus 0.013 0.0816 0.1998
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0209 0.1384 0.3386
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0071 0.0173
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0001 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0157 0.0383
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0586 0.4086 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0047 0.0226 0.0553
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0334 0.0817
Echinococcus granulosus transmembrane protease serine 3 0.013 0.0816 0.0816
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0016 0.0001 0.0002
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0071 0.0173
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0016 0.0001 0.0001
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0047 0.0226 0.0226
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0001 0.0002
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0226 0.0553
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0016 0.0001 0.0002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0226 0.0553
Loa Loa (eye worm) hypothetical protein 0.0107 0.0657 0.1608
Echinococcus multilocularis beta LACTamase domain containing family member 0.0107 0.0657 0.0657
Loa Loa (eye worm) hypothetical protein 0.0107 0.0657 0.1608
Echinococcus multilocularis smad 0.0016 0.0001 0.0001
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0047 0.0226 0.0553
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.013 0.0816 0.0816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0001 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0157 0.0383
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0334 0.0334
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0016 0.0001 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0139 0.034
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0016 0 0.5
Mycobacterium ulcerans beta-lactamase 0.0107 0.0657 0.475
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0176 0.0432
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0334 0.0334
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.0157 0.0384
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0001 0.0001
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0016 0.0001 0.0002
Leishmania major phosphatidylinositol 3-kinase, putative 0.0016 0.0001 0.0002
Mycobacterium ulcerans hypothetical protein 0.013 0.0816 0.5901
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0209 0.1384 0.2879
Echinococcus multilocularis transmembrane protease serine 3 0.013 0.0816 0.0816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0139 0.034
Loa Loa (eye worm) beta-lactamase 0.0107 0.0657 0.1608
Onchocerca volvulus 0.013 0.0816 0.1998
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0107 0.0657 0.1608
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0047 0.0226 0.0553
Mycobacterium tuberculosis Conserved protein 0.0107 0.0657 0.1367
Echinococcus granulosus glycoprotein Antigen 5 0.013 0.0816 0.0816
Brugia malayi MH1 domain containing protein 0.0016 0.0001 0.0001
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0657 0.1608
Brugia malayi Proteasome A-type and B-type family protein 0.0209 0.1384 0.3386
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0586 0.4086 1
Onchocerca volvulus 0.013 0.0816 0.1998
Loa Loa (eye worm) hypothetical protein 0.013 0.0816 0.1998
Loa Loa (eye worm) trypsin family protein 0.013 0.0816 0.1998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.007 0.0171
Mycobacterium ulcerans lipase LipD 0.0107 0.0657 0.475
Echinococcus multilocularis enteropeptidase 0.013 0.0816 0.0816
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.013 0.0816 0.0816
Plasmodium vivax proteasome subunit beta type-5, putative 0.0209 0.1384 0.3386
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0586 0.4086 1
Trichomonas vaginalis esterase, putative 0.0107 0.0657 0.1608
Echinococcus granulosus enteropeptidase 0.013 0.0816 0.0816
Brugia malayi TAR-binding protein 0.0062 0.0334 0.0817
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0657 0.1608
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0139 0.034
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.013 0.0816 0.0816
Loa Loa (eye worm) transcription factor SMAD2 0.0232 0.1551 0.3796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0226 0.0553
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0226 0.0553
Echinococcus granulosus tar DNA binding protein 0.0062 0.0334 0.0334
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0047 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.013 0.0816 0.1998
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.013 0.0816 0.1998
Echinococcus granulosus beta LACTamase domain containing family member 0.0107 0.0657 0.0657
Echinococcus multilocularis Smad4 0.0016 0.0001 0.0001
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0071 0.0173
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0586 0.4086 0.4086
Toxoplasma gondii ABC1 family protein 0.0107 0.0657 0.1608
Loa Loa (eye worm) RNA binding protein 0.0062 0.0334 0.0817
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0334 0.0334
Echinococcus granulosus smad 0.0016 0.0001 0.0001
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0209 0.1384 0.3386
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0047 0.0226 0.0553
Mycobacterium ulcerans hypothetical protein 0.0107 0.0657 0.475
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0001 0.0002
Brugia malayi Smad1 0.0016 0.0001 0.0001
Plasmodium vivax RNA helicase-1, putative 0.0586 0.4086 1
Brugia malayi Trypsin family protein 0.013 0.0816 0.1998
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0139 0.034
Brugia malayi MH2 domain containing protein 0.0016 0.0001 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0226 0.0553
Brugia malayi RNA binding protein 0.0062 0.0334 0.0817
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0209 0.1384 0.3386
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0586 0.4086 1
Echinococcus multilocularis Mastin 0.013 0.0816 0.0816
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Brugia malayi MH2 domain containing protein 0.0016 0.0001 0.0001
Plasmodium falciparum eukaryotic initiation factor 4A 0.0586 0.4086 1
Mycobacterium leprae Probable lipase LipE 0.0107 0.0657 0.475
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0047 0.0226 0.0553
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0071 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0088 0.0214
Onchocerca volvulus 0.0107 0.0657 0.1608
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0657 0.1608
Treponema pallidum ATP-dependent RNA helicase 0.0586 0.4086 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.013 0.0816 0.0816
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0209 0.1384 0.3386
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0334 0.0817
Mycobacterium ulcerans esterase/lipase LipP 0.0107 0.0657 0.475
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0657 0.1608
Brugia malayi eukaryotic initiation factor 4A 0.0586 0.4086 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0657 0.1608
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0586 0.4086 1
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0071 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.007 0.0171
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0586 0.4086 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.007 0.0171
Mycobacterium tuberculosis Probable lipase LipE 0.0107 0.0657 0.1367
Schistosoma mansoni smad1 5 8 and 0.0016 0.0001 0.0001
Schistosoma mansoni smad1 5 8 and 0.0016 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.013 0.0816 0.0816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0139 0.034
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0071 0.0173
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0334 0.0817
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0071 0.0071
Brugia malayi Trypsin family protein 0.013 0.0816 0.1998
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0107 0.0657 0.1367
Schistosoma mansoni hypothetical protein 0.013 0.0816 0.0816
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0001 0.0002
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0107 0.0657 0.1367
Brugia malayi MH2 domain containing protein 0.0232 0.1551 0.3796
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0107 0.0657 0.1367
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0016 0.0001 0.0002
Echinococcus multilocularis proteasome (prosome, macropain) 0.0209 0.1384 0.1384
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0586 0.4086 0.4086
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0586 0.4086 1
Schistosoma mansoni smad 0.0016 0.0001 0.0001
Schistosoma mansoni cercarial elastase (S01 family) 0.013 0.0816 0.0816
Mycobacterium leprae conserved hypothetical protein 0.0107 0.0657 0.475
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0657 0.0657
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.013 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.013 0.0816 0.1998
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0586 0.4086 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0334 0.0334
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.007 0.0171
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0001 0.0001

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.6 nM Inhibition of human CX3C chemokine receptor 5 from GP120-membrane-based assay ChEMBL. 15012997
IC50 (binding) = 0.6 nM Inhibition of human CX3C chemokine receptor 5 from GP120-membrane-based assay ChEMBL. 15012997
IC90 (functional) = 11 nM In vitro antiviral activity against HIV-1 infected HeLa cells 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.