Detailed information for compound 213153

Basic information

Technical information
  • TDR Targets ID: 213153
  • Name: [(2R,3R)-1-(benzylcarbamoyl)-3-methyl-4-oxoaz etidin-2-yl] acetate
  • MW: 276.288 | Formula: C14H16N2O4
  • H donors: 1 H acceptors: 3 LogP: 1.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1C(=O)N([C@@H]1OC(=O)C)C(=O)NCc1ccccc1
  • InChi: 1S/C14H16N2O4/c1-9-12(18)16(13(9)20-10(2)17)14(19)15-8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3,(H,15,19)/t9-,13+/m0/s1
  • InChiKey: VDLCVJDQYNSMSN-TVQRCGJNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2R,3R)-1-(benzylcarbamoyl)-3-methyl-4-oxo-azetidin-2-yl] acetate
  • acetic acid [(2R,3R)-1-[(benzylamino)-oxomethyl]-3-methyl-4-oxo-2-azetidinyl] ester
  • [(2R,3R)-3-methyl-4-oxo-1-(phenylmethylcarbamoyl)azetidin-2-yl] ethanoate
  • acetic acid [(2R,3R)-1-(benzylcarbamoyl)-4-keto-3-methyl-azetidin-2-yl] ester
  • [(2R,3R)-3-methyl-4-oxo-1-(phenylmethylcarbamoyl)azetidin-2-yl] acetate
  • acetic acid [(2R,3R)-3-methyl-4-oxo-1-[oxo-(phenylmethylamino)methyl]-2-azetidinyl] ester
  • AIDS093501
  • Acetic acid (2R,3R)-1-benzylcarbamoyl-3-methyl-4-oxo-azetidin-2-yl ester
  • AIDS-093501

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human cytomegalovirus (strain AD169) (HHV-5) (Human herpesvirus 5) Human herpes virus 5 capsid protein P40 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
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0022 0.0039 0.0023
Schistosoma mansoni chromobox protein 0.0022 0.0039 0.0023
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0023 0.0046 0.0039
Plasmodium vivax geranylgeranyltransferase, putative 0.0465 0.2707 0.3467
Giardia lamblia Rab geranylgeranyltransferase 0.1311 0.7806 1
Brugia malayi PHD-finger family protein 0.0057 0.0248 0.0233
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0044 0.0171 0.0231
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0186 0.1028 0.1014
Echinococcus multilocularis Chromobox protein 3 0.0022 0.0039 0.0023
Brugia malayi Pre-SET motif family protein 0.0204 0.1137 0.1123
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.1311 0.7806 0.7803
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0033
Echinococcus granulosus protein farnesyltransferase subunit beta 0.1131 0.6723 0.6718
Plasmodium vivax JmjC domain containing protein 0.0018 0.0016 0.002
Plasmodium vivax farnesyltransferase beta subunit, putative 0.1131 0.6723 0.8613
Echinococcus granulosus chromobox protein 1 0.0136 0.0725 0.071
Leishmania major geranylgeranyltransferase, putative 0.0465 0.2707 0.4012
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Brugia malayi Valyl-tRNA synthetase 0.0022 0.0039 0.0023
Schistosoma mansoni vesicular amine transporter 0.0036 0.0125 0.0109
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0052 0.0216 0.02
Brugia malayi Bromodomain containing protein 0.0057 0.0248 0.0233
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0023 0.0046 0.0039
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0022 0.0039 0.0042
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0039 0.0033
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0196 0.0181
Trichomonas vaginalis chromobox protein, putative 0.0136 0.0725 0.0718
Loa Loa (eye worm) hypothetical protein 0.0019 0.0017 0.0011
Loa Loa (eye worm) hypothetical protein 0.006 0.0265 0.0259
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0364 0.0358
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0033
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.0466 0.0451
Plasmodium falciparum protein farnesyltransferase subunit beta 0.1131 0.6723 0.8611
Schistosoma mansoni chromobox protein 0.0136 0.0725 0.071
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0045 0.003
Brugia malayi jmjC domain containing protein 0.0069 0.032 0.0305
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.0466 0.0459
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.1311 0.7806 0.7803
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0023 0.0046 0.0045
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0051 0.021 0.0203
Schistosoma mansoni chromobox protein 0.0136 0.0725 0.071
Trypanosoma cruzi protein farnesyltransferase, putative 0.1131 0.6723 1
Plasmodium falciparum phd finger protein, putative 0.0057 0.0248 0.0309
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0466 0.0459
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.1311 0.7806 0.7803
Loa Loa (eye worm) PHD-finger family protein 0.0057 0.0248 0.0242
Brugia malayi Protein cec-1. 0.0022 0.0039 0.0023
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0196 0.019
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0022 0.0039 0.0049
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0017 0.0002
Entamoeba histolytica hypothetical protein 0.0022 0.0039 0.000000000023965
Echinococcus granulosus bloom syndrome protein 0.0023 0.0045 0.003
Echinococcus granulosus chromobox protein 1 0.0136 0.0725 0.071
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0118
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0465 0.2707 0.2695
Mycobacterium tuberculosis Conserved hypothetical protein 0.0044 0.0171 0.0608
Loa Loa (eye worm) hypothetical protein 0.0076 0.0364 0.0358
Trypanosoma cruzi hypothetical protein, conserved 0.034 0.1954 0.2889
Echinococcus granulosus defective proboscis extension response 0.0036 0.0125 0.0109
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0036 0.0125 0.0109
Echinococcus granulosus chromobox protein 2 0.0022 0.0039 0.0023
Echinococcus granulosus jumonji domain containing protein 0.0079 0.0382 0.0367
Trichomonas vaginalis chromobox protein, putative 0.0022 0.0039 0.0033
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0186 0.1028 0.1014
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0023 0.0046 0.0045
Schistosoma mansoni hypothetical protein 0.0033 0.0104 0.0089
Brugia malayi jmjC domain containing protein 0.0186 0.1028 0.1014
Onchocerca volvulus 0.006 0.0265 0.118
Loa Loa (eye worm) CHromoDomain protein family member 0.0022 0.0039 0.0033
Trichomonas vaginalis chromobox protein, putative 0.0082 0.0399 0.0393
Giardia lamblia Rab geranylgeranyltransferase 0.034 0.1954 0.2257
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0024 0.0008
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0183 0.0176
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.034 0.1954 0.2889
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Echinococcus multilocularis chromobox protein 1 0.0136 0.0725 0.071
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0118
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0466 0.0459
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0022 0.0039 0.0023
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0311 0.0305
Toxoplasma gondii PHD-finger domain-containing protein 0.0057 0.0248 0.0359
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0039 0.0033
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.1131 0.6723 0.6718
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0022 0.0039 0.0023
Brugia malayi hypothetical protein 0.0036 0.0125 0.0109
Plasmodium vivax hypothetical protein, conserved 0.0057 0.0248 0.0318
Loa Loa (eye worm) heterochromatin protein 1 0.0136 0.0725 0.0718
Echinococcus multilocularis chromobox protein 1 0.0136 0.0725 0.071
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0465 0.2707 1
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.034 0.1954 0.1941
Trichomonas vaginalis Heterochromatin protein, putative 0.0022 0.0039 0.0033
Toxoplasma gondii PHD-finger domain-containing protein 0.0057 0.0248 0.0359
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Trypanosoma cruzi lanosterol synthase, putative 0.0465 0.2707 0.4012
Loa Loa (eye worm) hypothetical protein 0.0098 0.0493 0.0487
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0023 0.0046 0.0039
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0118
Echinococcus granulosus twitchin 0.0037 0.0126 0.0111
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0039 0.0033
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.0466 0.0671
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0466 0.0459
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0067 0.0311 0.0305
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.034 0.1954 0.1948
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0082 0.0066
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.034 0.1954 0.1941
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0082 0.0066
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.034 0.1954 0.2503
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0033
Leishmania major hypothetical protein, conserved 0.0044 0.0171 0.0231
Onchocerca volvulus 0.0022 0.0039 0.000000038656
Toxoplasma gondii hypothetical protein 0.0971 0.5758 0.8563
Trichomonas vaginalis chromobox protein, putative 0.0022 0.0039 0.0033
Leishmania major protein farnesyltransferase alpha subunit, putative 0.034 0.1954 0.2889
Trichomonas vaginalis chromobox protein, putative 0.0136 0.0725 0.0718
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0104 0.0089
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0018 0.0016 0.0014
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0123 0.0646 0.0632
Schistosoma mansoni protein farnesyltransferase subunit beta 0.1131 0.6723 0.6718
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0039 0.000000000023965
Echinococcus granulosus roundabout 2 0.0036 0.0125 0.0109
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0023 0.0046 0.0039
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.032 0.0314
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1675 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1131 0.6723 0.6721
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0465 0.2707 0.402
Trypanosoma brucei lanosterol synthase 0.0465 0.2707 0.4012
Plasmodium vivax heterochromatin protein 1, putative 0.0022 0.0039 0.005
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0045 0.003
Loa Loa (eye worm) hypothetical protein 0.0033 0.0104 0.0098
Brugia malayi Immunoglobulin I-set domain containing protein 0.0036 0.0125 0.0109
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0022 0.0039 0.0023
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0465 0.2707 0.4012
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0023 0.0046 0.0039
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Echinococcus granulosus peregrin 0.0057 0.0248 0.0233
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.032 0.0305
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.0466 0.2227
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0466 0.0459
Onchocerca volvulus 0.0052 0.0216 0.0923
Loa Loa (eye worm) TK/KIN16 protein kinase 0.004 0.0144 0.0138
Echinococcus multilocularis Immunoglobulin 0.0036 0.0125 0.0109
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0039 0.0033
Onchocerca volvulus 0.0233 0.1307 0.6623
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0023 0.0046 0.0045
Echinococcus granulosus Chromobox protein 3 0.0022 0.0039 0.0023
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.1131 0.6723 0.6721
Schistosoma mansoni kinase 0.0047 0.019 0.0174
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0118
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0465 0.2707 0.2702
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0061 0.0272 0.0984
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0061 0.0272 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1311 0.7806 0.7805
Plasmodium vivax prenyltransferase alpha subunit, putative 0.1311 0.7806 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0082 0.0066
Trypanosoma brucei polo-like protein kinase 0.0093 0.0466 0.0671
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0036 0.0125 0.0109
Loa Loa (eye worm) hypothetical protein 0.0465 0.2707 0.2702
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0466 0.0671
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0039 0.0033
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0039 0.000000000023965
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0023 0.0046 0.003
Loa Loa (eye worm) hypothetical protein 0.1311 0.7806 0.7805
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0039 0.0033
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0023 0.0046 0.0039
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.034 0.1954 0.1922
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0057 0.0248 0.0233
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0028 0.0028
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.034 0.1954 0.2889
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0465 0.2707 0.3467
Schistosoma mansoni hypothetical protein 0.0164 0.0895 0.0881
Brugia malayi PHD-finger family protein 0.0019 0.0017 0.0001
Trypanosoma cruzi lanosterol synthase, putative 0.0465 0.2707 0.4012
Loa Loa (eye worm) hypothetical protein 0.0048 0.0196 0.019
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0019 0.0017 0.0016
Trichomonas vaginalis chromobox protein, putative 0.0022 0.0039 0.0033
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0033
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0118
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0023 0.0046 0.0045
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0019 0.0017 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0039 0.0033
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Loa Loa (eye worm) hypothetical protein 0.0117 0.0611 0.0605
Echinococcus multilocularis lysine specific demethylase 5A 0.0069 0.032 0.0305
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0123 0.0646 0.0632
Brugia malayi Associated with TFs and helicases family protein 0.0022 0.0039 0.0023
Echinococcus multilocularis Immunoglobulin 0.0036 0.0125 0.0109
Onchocerca volvulus Alhambra homolog 0.0057 0.0248 0.109
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0022 0.0039 0.0023
Loa Loa (eye worm) helicase 0.0022 0.0039 0.0033
Schistosoma mansoni chromobox protein 0.0022 0.0039 0.0023
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0016 0.0000064826
Trypanosoma brucei hypothetical protein, conserved 0.034 0.1954 0.2889
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0252 0.1426 0.1412
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.034 0.1954 0.2889
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0466 0.0459
Trichomonas vaginalis hypothetical protein 0.0022 0.0039 0.0033
Schistosoma mansoni nephrin 0.0036 0.0125 0.0109
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0022 0.0039 0.0049
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0076 0.0364 0.1699
Brugia malayi CHD4 protein 0.0022 0.0039 0.0023
Toxoplasma gondii hypothetical protein 0.034 0.1954 0.2899
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0039 0.0033
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0082 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.023 0.0224
Schistosoma mansoni cell adhesion molecule 0.0036 0.0125 0.0109
Echinococcus multilocularis jumonji domain containing protein 0.0079 0.0382 0.0367
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.034 0.1954 0.2889
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1131 0.6723 0.6721
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0039 0.0033
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0465 0.2707 0.3462
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0036 0.0125 0.0109
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.034 0.1954 0.2889
Trichomonas vaginalis chromobox protein, putative 0.0082 0.0399 0.0393
Echinococcus granulosus lysine specific demethylase 5A 0.0069 0.032 0.0305
Loa Loa (eye worm) jmjC domain-containing protein 0.0117 0.0613 0.0607
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0039 0.0033
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0016 0.0009
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0039 0.0033
Schistosoma mansoni jumonji domain containing protein 0.0148 0.0797 0.0783
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.0044 0.0171 0.0231
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0022 0.0039 0.0049
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0039 0.0033
Trichomonas vaginalis set domain proteins, putative 0.0233 0.1307 0.1301
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0082 0.0066
Schistosoma mansoni hypothetical protein 0.0019 0.0017 0.0001
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.034 0.1954 0.2889
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0022 0.0039 0.0023
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0082 0.0112
Plasmodium falciparum geranylgeranyltransferase, putative 0.0465 0.2707 0.3462
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.034 0.1954 0.1941
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0045 0.0039
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0466 0.0451
Brugia malayi Heterochromatin protein 1 0.0136 0.0725 0.071
Trypanosoma brucei protein farnesyltransferase beta subunit 0.1131 0.6723 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0075 0.006
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0465 0.2707 0.2678
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.023 0.0224
Echinococcus granulosus neuroglian 0.0036 0.0125 0.0109
Echinococcus granulosus Immunoglobulin 0.0036 0.0125 0.0109
Brugia malayi Fibronectin type III domain containing protein 0.0036 0.0125 0.0109
Plasmodium vivax hypothetical protein, conserved 0.0019 0.0017 0.0022
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.1675 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1311 0.7806 0.7805
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0036 0.0125 0.0109
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.034 0.1954 0.2496
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0039 0.005
Brugia malayi chromobox protein homolog 3 0.0076 0.0364 0.0349
Echinococcus granulosus protein prenyltransferase alpha subunit 0.034 0.1954 0.1941
Brugia malayi M-phase phosphoprotein, mpp8 0.0022 0.0039 0.0023
Schistosoma mansoni hypothetical protein 0.0164 0.0895 0.0881
Toxoplasma gondii PHD-finger domain-containing protein 0.0019 0.0017 0.0016
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0022 0.0039 0.0042
Echinococcus granulosus Chromo domain 0.0022 0.0039 0.0023
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1131 0.6723 0.6721
Plasmodium falciparum JmjC domain-containing protein, putative 0.0018 0.0016 0.0012
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0009
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0051 0.021 0.0203
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0466 0.0671
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0039 0.0033
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0023 0.0046 0.0039
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0466 0.0459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.034 0.1954 0.1948
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1131 0.6723 0.6721
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0022 0.0039 0.0023
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0007 0.0009
Onchocerca volvulus 0.034 0.1954 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0183 0.0176
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0039 0.0033
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0024 0.0008
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.0466 0.0451
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1311 0.7806 0.7805
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0023 0.0046 0.0039
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0039 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0364 0.0358
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0016 0.0009
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0023 0.0046 0.0045
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.1131 0.6723 0.6721
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Echinococcus multilocularis geminin 0.0164 0.0895 0.0881
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0016 0.0009
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0023 0.0046 0.003
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0118
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0039 0.0033
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0196 0.0181
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.1137 0.1131
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0039 0.000000000023965
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.1131 0.6723 0.6718
Loa Loa (eye worm) hypothetical protein 0.0057 0.0248 0.0242
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0118
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0082 0.0399 0.1881
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0971 0.5758 0.5755
Echinococcus multilocularis neuroglian 0.0036 0.0125 0.0109
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1311 0.7806 0.7805
Trypanosoma cruzi protein farnesyltransferase, putative 0.1131 0.6723 1
Giardia lamblia Rab geranylgeranyltransferase 0.0465 0.2707 0.3253
Echinococcus multilocularis chromobox protein 2 0.0022 0.0039 0.0023
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0465 0.2707 0.2695
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0023 0.0046 0.003
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0023 0.0046 0.003
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0465 0.2707 0.2702
Echinococcus multilocularis peregrin 0.0057 0.0248 0.0233
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0118
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.032 0.0305
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.1311 0.7806 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0465 0.2707 0.402
Trypanosoma cruzi hypothetical protein, conserved 0.0465 0.2707 0.4012
Trypanosoma cruzi hypothetical protein, conserved 0.0465 0.2707 0.4012
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0465 0.2707 0.2695
Giardia lamblia Kinase, PLK 0.0093 0.0466 0.0288
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.0466 0.0451
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0082 0.0066
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1675 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0039 0.0033
Brugia malayi SET domain containing protein 0.0023 0.0046 0.003
Plasmodium falciparum heterochromatin protein 1 0.0022 0.0039 0.0042
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0039 0.0033
Echinococcus multilocularis Chromo domain 0.0022 0.0039 0.0023
Echinococcus multilocularis roundabout 2 0.0036 0.0125 0.0109
Loa Loa (eye worm) hypothetical protein 0.0123 0.0646 0.064
Schistosoma mansoni hypothetical protein 0.0057 0.0248 0.0233
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.0466 0.0428
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0045 0.0039
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0044 0.0171 0.0231
Brugia malayi Immunoglobulin I-set domain containing protein 0.004 0.0144 0.0129
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0039 0.0033
Loa Loa (eye worm) RecQ helicase 0.0023 0.0045 0.0039
Plasmodium vivax SET domain protein, putative 0.0029 0.0082 0.0105
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0023 0.0046 0.003
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0022 0.0039 0.0023
Schistosoma mansoni hypothetical protein 0.0022 0.0039 0.0023
Loa Loa (eye worm) hypothetical protein 0.0029 0.0082 0.0075
Echinococcus granulosus PHD finger protein rhinoceros 0.0057 0.0248 0.0233
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.1131 0.6723 0.671
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0039 0.005
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.034 0.1954 0.1941
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0067 0.0311 0.0305
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.034 0.1954 0.1941
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0667 0.3922 0.5024
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0022 0.0039 0.0023
Brugia malayi AF-10 protein 0.0019 0.0017 0.0001
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1675 1 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1131 0.6723 0.6721
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.1131 0.6723 1
Giardia lamblia Prenyltransferase 0.1131 0.6723 0.8567
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0067 0.0311 0.0305
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0019 0.0017 0.0002
Brugia malayi Pre-SET motif family protein 0.0029 0.0082 0.0066
Mycobacterium leprae conserved hypothetical protein 0.0017 0.0007 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0039 0.0033
Trypanosoma cruzi hypothetical protein, conserved 0.034 0.1954 0.2889
Leishmania major farnesyltransferase beta subunit 0.1131 0.6723 1
Loa Loa (eye worm) hypothetical protein 0.0465 0.2707 0.2702
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.1675 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.1311 0.7806 0.7798
Echinococcus multilocularis PHD finger protein rhinoceros 0.0057 0.0248 0.0233
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Echinococcus granulosus geminin 0.0164 0.0895 0.0881
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.1311 0.7806 0.7803
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0039 0.0033
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0023 0.0046 0.0039
Brugia malayi hypothetical protein 0.0022 0.0039 0.0023
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0466 0.0459
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0039 0.0033
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0023 0.0046 0.003
Loa Loa (eye worm) hypothetical protein 0.0036 0.0125 0.0118
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0018 0.0016 0.0014
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0465 0.2707 0.4012
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0023 0.0046 0.0039
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.1675 1 1
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1388 0.8267 0.8265
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0023 0.0046 0.0039
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1675 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.5 uM Concentration of the compound required to inhibit the mutant alpha-Ala HCMV protease by 50% was determined ChEMBL. 9871686
IC50 (binding) = 6.5 uM Concentration of the compound required to inhibit the mutant alpha-Ala HCMV protease by 50% was determined ChEMBL. 9871686

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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