Detailed information for compound 983131

Basic information

Technical information
  • TDR Targets ID: 983131
  • Name: (2R)-3-cyclopropyl-2-[(3S,4S)-3-phenyl-4-[[4- [2-(phenylmethyl)-1,3-oxazol-5-yl]piperidin-1 -yl]methyl]pyrrolidin-1-yl]propanoic acid
  • MW: 513.67 | Formula: C32H39N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.55 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)[C@H](N1C[C@@H]([C@H](C1)c1ccccc1)CN1CCC(CC1)c1cnc(o1)Cc1ccccc1)CC1CC1
  • InChi: 1S/C32H39N3O3/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/m0/s1
  • InChiKey: FVHNVQXWBIUQGH-ZGIBFIJWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R)-3-cyclopropyl-2-[(3S,4S)-3-phenyl-4-[[4-[2-(phenylmethyl)oxazol-5-yl]-1-piperidyl]methyl]pyrrolidin-1-yl]propanoic acid
  • (2R)-3-cyclopropyl-2-[(3S,4S)-3-phenyl-4-[[4-[2-(phenylmethyl)-5-oxazolyl]-1-piperidinyl]methyl]-1-pyrrolidinyl]propanoic acid
  • (2R)-2-[(3S,4S)-3-[[4-[2-(benzyl)oxazol-5-yl]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-3-cyclopropyl-propionic acid
  • AIDS211915
  • (2R)-2-((3S,4S)-3-{[4-(2-Benzyl-1,3-oxazol-5-yl)piperidin-1-yl]methyl}-4-phenylpyrrolidin-1-yl)-3-cyclopropylpropanoic acid
  • AIDS-211915

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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0028 0.0149
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.0028 0.0154
Brugia malayi Cation transporter family protein 0.0025 0.0212 0.0683
Brugia malayi mbt repeat family protein 0.0049 0.0682 0.2196
Brugia malayi Cathepsin L-like precursor 0.0016 0.0028 0.009
Loa Loa (eye worm) hypothetical protein 0.0059 0.0877 0.2825
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0422 0.2247
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0813 0.4335
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0028 0.0028
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0025 0.0212 0.0212
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0028 0.009
Trypanosoma brucei glucose transporter 1E 0.0033 0.0359 0.3805
Plasmodium vivax vivapain-2 0.0016 0.0028 0.0154
Schistosoma mansoni glycogen phosphorylase 0.0109 0.1876 0.1876
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0025 0.0212 0.0212
Loa Loa (eye worm) cysteine protease 0.0016 0.0028 0.009
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0359 0.3805
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0818 0.0818
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.1876 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0422 0.2247
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0025 0.0212 0.0683
Leishmania major cysteine peptidase A (CPA) 0.0016 0.0028 0.0297
Echinococcus multilocularis cysteine protease 0.0016 0.0028 0.0028
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0028 0.0028
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0359 0.3805
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.004 0.0505 0.1625
Echinococcus granulosus nAChR subunit 0.0025 0.0212 0.0212
Loa Loa (eye worm) sugar transporter 0.0106 0.1819 0.5856
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.1876 0.1876
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.106 0.3412
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0059 0.0877 0.0877
Onchocerca volvulus 0.0016 0.0028 0.009
Echinococcus multilocularis agrin 0.004 0.0505 0.0505
Echinococcus multilocularis follistatin 0.004 0.0505 0.0505
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0028 0.0149
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0028 0.0028
Trypanosoma brucei glucose transporter, putative 0.0033 0.0359 0.3805
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0682 0.0682
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0835 0.8858
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0025 0.0212 0.0212
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0422 0.0422
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.1819 0.1819
Brugia malayi Cation transporter family protein 0.017 0.3106 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.004 0.0505 0.1625
Loa Loa (eye worm) hypothetical protein 0.0158 0.2871 0.9243
Onchocerca volvulus 0.0059 0.0877 0.2825
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0028 0.0149
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0212 0.0683
Echinococcus granulosus Solute carrier organic anion transporter family 0.0059 0.0877 0.0877
Echinococcus multilocularis glycogen phosphorylase 0.0109 0.1876 0.1876
Schistosoma mansoni glucose transport protein 0.0106 0.1819 0.1819
Onchocerca volvulus Putative nachr subunit 0.0025 0.0212 0.0683
Loa Loa (eye worm) glycogen phosphorylase 0.0109 0.1876 0.604
Brugia malayi sodium-independent organic anion transporter family protein 0.0059 0.0877 0.2825
Echinococcus multilocularis expressed protein 0.004 0.0505 0.0505
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0025 0.0212 0.0212
Schistosoma mansoni nAChR subunit 0.0025 0.0212 0.0212
Echinococcus granulosus neuropeptide s receptor 0.0507 0.9842 0.9842
Echinococcus multilocularis geminin 0.0515 1 1
Brugia malayi MAP kinase sur-1 0.0056 0.0813 0.2619
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0025 0.0212 0.0683
Echinococcus granulosus glycogen phosphorylase 0.0109 0.1876 0.1876
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0422 0.0422
Trypanosoma brucei glucose transporter, putative 0.0033 0.0359 0.3805
Schistosoma mansoni agrin 0.004 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0056 0.0818 0.2632
Echinococcus multilocularis glycine receptor subunit beta 0.0025 0.0212 0.0212
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0422 0.2129
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.0813 0.8626
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.0028 0.0154
Onchocerca volvulus 0.017 0.3106 1
Echinococcus granulosus glycogen phosphorylase 0.0109 0.1876 0.1876
Leishmania major cathepsin L-like protease 0.0016 0.0028 0.0297
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0025 0.0212 0.0212
Schistosoma mansoni glycogen phosphorylase 0.0047 0.0642 0.0642
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0025 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0049 0.0682 0.2196
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0047 0.0642 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0025 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0943 1
Onchocerca volvulus 0.0059 0.0877 0.2825
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0818 0.0818
Schistosoma mansoni nAChR subunit 0.0025 0.0212 0.0212
Schistosoma mansoni nAChR subunit 0.0025 0.0212 0.0212
Leishmania major cathepsin L-like protease 0.0062 0.0943 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0682 0.0682
Trichomonas vaginalis chromobox protein, putative 0.0068 0.106 0.5649
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.004 0.0505 0.1625
Schistosoma mansoni follistatin 0.004 0.0505 0.0505
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0025 0.0212 0.0683
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0025 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0059 0.0877 0.2825
Schistosoma mansoni glucose transport protein 0.0106 0.1819 0.1819
Trypanosoma cruzi MFS transporter, putative 0.0059 0.0877 0.9304
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0813 0.8626
Trypanosoma brucei glucose transporter, putative 0.0033 0.0359 0.3805
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0818 0.2632
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.017 0.3106 0.3106
Brugia malayi Cathepsin L-like precursor 0.0016 0.0028 0.009
Loa Loa (eye worm) hypothetical protein 0.004 0.0505 0.1625
Schistosoma mansoni nAChR subunit 0.0025 0.0212 0.0212
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Brugia malayi SPARC precursor 0.004 0.0505 0.1625
Brugia malayi secreted modular calcium-binding protein 1 0.004 0.0505 0.1625
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0028 0.0149
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.004 0.0505 0.1625
Onchocerca volvulus 0.0059 0.0877 0.2825
Brugia malayi mbt repeat family protein 0.0049 0.0682 0.2196
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0521 0.2778
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0682 0.2196
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0025 0.0212 0.0683
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0025 0.0212 0.0683
Echinococcus granulosus chromobox protein 1 0.0068 0.106 0.106
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0422 0.1357
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0028 0.009
Loa Loa (eye worm) fibroinase 0.0016 0.0028 0.009
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0943 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0212 0.0683
Onchocerca volvulus 0.0016 0.0028 0.009
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0028 0.0149
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0818 0.0818
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0682 0.0682
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Onchocerca volvulus 0.0016 0.0028 0.009
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0682 0.0682
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0422 0.0422
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0025 0.0212 0.0212
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2029 0.6531
Brugia malayi Cathepsin L-like precursor 0.0016 0.0028 0.009
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0028 0.009
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0025 0.0212 0.0683
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0028 0.0028
Brugia malayi Sugar transporter family protein 0.0106 0.1819 0.5856
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1819 0.1819
Brugia malayi hypothetical protein 0.0059 0.0877 0.2825
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.3563 0.3563
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0028 0.009
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0813 0.4335
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0359 0.1912
Echinococcus multilocularis Glycosyl transferase, family 35 0.0109 0.1876 0.1876
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0059 0.0877 0.0877
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0677 0.7184
Plasmodium vivax vivapain-2 0.0016 0.0028 0.0154
Loa Loa (eye worm) LGC-31 protein 0.0025 0.0212 0.0683
Brugia malayi Cathepsin L-like precursor 0.0016 0.0028 0.009
Schistosoma mansoni nAChR subunit 0.0025 0.0212 0.0212
Echinococcus granulosus neuropeptide receptor A26 0.0507 0.9842 0.9842
Leishmania major cathepsin L-like protease 0.0016 0.0028 0.0297
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Loa Loa (eye worm) hypothetical protein 0.003 0.0299 0.0962
Brugia malayi carbohydrate phosphorylase 0.0109 0.1876 0.604
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0025 0.0212 0.0683
Onchocerca volvulus 0.003 0.0299 0.0962
Leishmania major cathepsin L-like protease 0.0016 0.0028 0.0297
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0463 0.1492
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0025 0.0212 0.0212
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0025 0.0212 0.0683
Loa Loa (eye worm) ACC-1 protein 0.0025 0.0212 0.0683
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.004 0.0505 0.1327
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0463 0.247
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0241 0.1285
Toxoplasma gondii cathepsin CPL 0.0016 0.0028 0.0074
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0212 0.0683
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Schistosoma mansoni glucose transport protein 0.0106 0.1819 0.1819
Echinococcus granulosus glycine receptor subunit beta 0.0025 0.0212 0.0212
Brugia malayi Cation transporter family protein 0.0025 0.0212 0.0683
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.0813 0.8626
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0106 0.1819 0.1819
Loa Loa (eye worm) hypothetical protein 0.0038 0.0463 0.1492
Loa Loa (eye worm) ctsf protein 0.0016 0.0028 0.009
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Onchocerca volvulus Putative organic anion transporter 0.0059 0.0877 0.2825
Brugia malayi sodium-independent organic anion transporter family protein 0.0059 0.0877 0.2825
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0025 0.0212 0.0683
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0028 0.0149
Loa Loa (eye worm) hypothetical protein 0.0059 0.0877 0.2825
Brugia malayi chromobox protein homolog 3 0.0038 0.0463 0.1492
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.1876 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1819 0.1819
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Onchocerca volvulus 0.004 0.0505 0.1625
Onchocerca volvulus Glycogen phosphorylase homolog 0.0109 0.1876 0.604
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0106 0.1819 0.4784
Loa Loa (eye worm) hypothetical protein 0.0059 0.0877 0.2825
Trichomonas vaginalis chromobox protein, putative 0.0068 0.106 0.5649
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0025 0.0212 0.0212
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0422 0.447
Schistosoma mansoni organic anion transporter 0.0059 0.0877 0.0877
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0028 0.0028
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0025 0.0212 0.0212
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.0813 0.8626
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.0813 0.0813
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0422 0.447
Leishmania major cathepsin L-like protease 0.0016 0.0028 0.0297
Onchocerca volvulus 0.0016 0.0028 0.009
Trypanosoma brucei glucose transporter, putative 0.0033 0.0359 0.3805
Loa Loa (eye worm) hypothetical protein 0.0059 0.0877 0.2825
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0359 0.3805
Brugia malayi Cathepsin L-like precursor 0.0016 0.0028 0.009
Schistosoma mansoni chromobox protein 0.0068 0.106 0.106
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0359 0.3805
Echinococcus granulosus glycine receptor subunit alpha 1 0.0025 0.0212 0.0212
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0422 0.447
Onchocerca volvulus 0.0016 0.0028 0.009
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0025 0.0212 0.0212
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0212 0.0683
Onchocerca volvulus 0.0025 0.0212 0.0683
Entamoeba histolytica glycogen phosphorylase, putative 0.0109 0.1876 1
Loa Loa (eye worm) agrin synaptic family protein 0.004 0.0505 0.1625
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.0028 0.0154
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0422 0.0422
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.004 0.0505 0.1327
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0025 0.0212 0.0212
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.0813 0.8626
Loa Loa (eye worm) MBCTL1 0.0056 0.0818 0.2632
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0028 0.009
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0463 0.247
Echinococcus multilocularis nAChR subunit 0.0025 0.0212 0.0212
Onchocerca volvulus Putative organic anion transporter 0.0059 0.0877 0.2825
Onchocerca volvulus Cathepsin F homolog 0.0016 0.0028 0.009
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.1819 0.1819
Echinococcus multilocularis chromobox protein 1 0.0068 0.106 0.106
Onchocerca volvulus 0.0059 0.0877 0.2825
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.1819 0.1819
Chlamydia trachomatis glycogen phosphorylase 0.0109 0.1876 0.5
Onchocerca volvulus 0.017 0.3106 1
Toxoplasma gondii transporter, major facilitator family protein 0.0059 0.0877 0.2308
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0212 0.0683
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0682 0.0682
Entamoeba histolytica glycogenphosphorylase, putative 0.0047 0.0642 0.3324
Onchocerca volvulus 0.0016 0.0028 0.009
Onchocerca volvulus 0.0025 0.0212 0.0683
Trypanosoma brucei glucose transporter, putative 0.0033 0.0359 0.3805
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0359 0.1912
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0359 0.1912
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0025 0.0212 0.0212
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.0642 0.3324
Trypanosoma brucei protein kinase, putative 0.0056 0.0813 0.8626
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.0813 0.0813
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.0813 0.4335
Echinococcus granulosus cathepsin l1 0.0016 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Echinococcus multilocularis cysteine protease 0.0016 0.0028 0.0028
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0818 0.0818
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0025 0.0212 0.0683
Echinococcus granulosus glycine receptor subunit beta 0.0025 0.0212 0.0212
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0028 0.0149
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0025 0.0212 0.0683
Schistosoma mansoni hypothetical protein 0.0515 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0422 0.0422
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Leishmania major cathepsin L-like protease 0.0062 0.0943 1
Schistosoma mansoni hypothetical protein 0.0515 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0505 0.1625
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.004 0.0505 0.1625
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0359 0.3805
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0422 0.447
Brugia malayi excitatory GABA receptor EXP-1A 0.0025 0.0212 0.0683
Schistosoma mansoni nAChR subunit 0.0025 0.0212 0.0212
Echinococcus granulosus Glycosyl transferase family 35 0.0109 0.1876 0.1876
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0028 0.0149
Trypanosoma cruzi hexose transporter 0.0033 0.0359 0.3805
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0943 1
Plasmodium falciparum hexose transporter 0.0106 0.1819 1
Loa Loa (eye worm) hypothetical protein 0.017 0.3106 1
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0813 0.0813
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0818 0.0818
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.004 0.0505 0.1327
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0813 0.8626
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0 0.5
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0028 0.009
Echinococcus granulosus glycine receptor subunit alpha 1 0.0025 0.0212 0.0212
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0422 0.0422
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0028 0.0149
Onchocerca volvulus Putative organic anion transporter 0.0059 0.0877 0.2825
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0025 0.0212 0.0683
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.0813 0.2139
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0025 0.0212 0.0212
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0359 0.3805
Trypanosoma brucei glucose transporter, putative 0.0033 0.0359 0.3805
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0359 0.1912
Brugia malayi Heterochromatin protein 1 0.0068 0.106 0.3412
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0025 0.0212 0.0212
Onchocerca volvulus 0.0059 0.0877 0.2825
Loa Loa (eye worm) hypothetical protein 0.004 0.0505 0.1625
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0422 0.0422
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0943 1
Brugia malayi MH2 domain containing protein 0.0116 0.2029 0.6531
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.0642 0.3324
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.017 0.3106 0.3106
Brugia malayi prostaglandin transporter 0.0059 0.0877 0.2825
Echinococcus granulosus follistatin 0.004 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Schistosoma mansoni hypothetical protein 0.0106 0.1819 0.1819
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0422 0.2247
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0059 0.0877 0.2825
Leishmania major cathepsin L-like protease 0.0062 0.0943 1
Plasmodium vivax hexose transporter 0.0106 0.1819 1
Onchocerca volvulus 0.0016 0.0028 0.009
Echinococcus multilocularis glycine receptor subunit beta 0.0025 0.0212 0.0212
Trypanosoma brucei glucose transporter, putative 0.0033 0.0359 0.3805
Echinococcus granulosus General substrate transporter 0.0091 0.1521 0.1521
Schistosoma mansoni organic anion transporter 0.0059 0.0877 0.0877
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0521 0.1678
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0205 0.3802 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0025 0.0212 0.0212
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Trichomonas vaginalis glycogen phosphorylase, putative 0.0109 0.1876 1
Schistosoma mansoni glycogen phosphorylase 0.0109 0.1876 0.1876
Onchocerca volvulus 0.0025 0.0212 0.0683
Loa Loa (eye worm) hypothetical protein 0.0036 0.0422 0.1357
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0682 0.0682
Loa Loa (eye worm) hypothetical protein 0.017 0.3106 1
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0813 0.4335
Schistosoma mansoni chromobox protein 0.0068 0.106 0.106
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0025 0.0212 0.0683
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0241 0.1285
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0682 0.0682
Brugia malayi sodium-independent organic anion transporter family protein 0.0059 0.0877 0.2825
Trypanosoma brucei glucose transporter, putative 0.0033 0.0359 0.3805
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.3563 0.3563
Echinococcus granulosus agrin 0.004 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0359 0.1912
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0521 0.2778
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.004 0.0505 0.1327
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0028 0.0149
Echinococcus granulosus glycine receptor subunit alpha 1 0.0025 0.0212 0.0212
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1819 0.1819
Leishmania major glucose transporter, lmgt1 0.0033 0.0359 0.3805
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0682 0.2196
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0025 0.0212 0.0212
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0025 0.0212 0.0683
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0025 0.0212 0.0683
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0025 0.0212 0.0683
Loa Loa (eye worm) hypothetical protein 0.0059 0.0877 0.2825
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.0298 0.5657 0.5657
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.0813 0.0813
Loa Loa (eye worm) hypothetical protein 0.004 0.0505 0.1625
Leishmania major glucose transporter, lmgt2 0.0033 0.0359 0.3805
Echinococcus multilocularis neuropeptide s receptor 0.0507 0.9842 0.9842
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.0813 0.8626
Echinococcus multilocularis General substrate transporter 0.0091 0.1521 0.1521
Onchocerca volvulus 0.0049 0.0682 0.2196
Echinococcus multilocularis chromobox protein 1 0.0068 0.106 0.106
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0028 0.0149
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.0813 0.2619
Trypanosoma brucei glucose transporter 2A 0.0033 0.0359 0.3805
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2029 0.6531
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0359 0.1912
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0059 0.0877 0.0877
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0025 0.0212 0.0212
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0025 0.0212 0.0683
Echinococcus multilocularis neuropeptide receptor A26 0.0507 0.9842 0.9842
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0028 0.0297
Schistosoma mansoni nAChR subunit 0.0025 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0016 0.0028 0.009
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Brugia malayi hypothetical protein 0.0059 0.0877 0.2825
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.1819 0.9695
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0025 0.0212 0.0212
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0422 0.2247
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0061 0.0649
Loa Loa (eye worm) hypothetical protein 0.0059 0.0877 0.2825
Loa Loa (eye worm) ACC-1 protein 0.0025 0.0212 0.0683
Giardia lamblia Glycogen phosphorylase 0.0109 0.1876 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.0813 0.0813
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0028 0.0028
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.1819 0.1819
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0028 0.0149
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0047 0.0642 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0028 0.0028
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0943 1
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0359 0.3805
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0422 0.0422
Onchocerca volvulus 0.017 0.3106 1
Toxoplasma gondii protease inhibitor PI2 0.004 0.0505 0.1327
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0359 0.1912
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.0683
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0813 0.4335
Leishmania major cathepsin L-like protease 0.0016 0.0028 0.0297
Leishmania major glucose transporter, lmgt3 0.0033 0.0359 0.3805
Echinococcus granulosus chromobox protein 1 0.0068 0.106 0.106
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0025 0.0212 0.0212

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = -0.204 Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells ChEMBL. 18538451
IC50 (binding) = 1.6 nM Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand ChEMBL. 15177445
IC50 (binding) = 1.6 nM Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells ChEMBL. 18538451
IC50 (functional) = 3.7 nM Anti viral activity was determined in anti HIV-1 infectivity assay in HeLa Magi cells ChEMBL. 15177445

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15177445

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

2 literature references were collected for this gene.

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