Detailed information for compound 516230

Basic information

Technical information
  • TDR Targets ID: 516230
  • Name: N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazo lo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
  • MW: 376.432 | Formula: C20H16N4O2S
  • H donors: 0 H acceptors: 4 LogP: 2.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N(c1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)C
  • InChi: 1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
  • InChiKey: CBIAWPMZSFFRGN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-N-[3-[3-[oxo(2-thienyl)methyl]-7-pyrazolo[1,5-a]pyrimidinyl]phenyl]acetamide
  • N-methyl-N-[3-(3-thiophen-2-ylcarbonylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanamide
  • N-methyl-N-[3-[3-(2-thenoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
  • indiplon
  • N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[5,1-b]pyrimidin-7-yl]phenyl]acetamide
  • N-methyl-N-[3-[3-[oxo-(2-thienyl)methyl]-7-pyrazolo[5,1-b]pyrimidinyl]phenyl]acetamide
  • N-methyl-N-[3-(3-thiophen-2-ylcarbonylpyrazolo[5,1-b]pyrimidin-7-yl)phenyl]ethanamide
  • 325715-02-4
  • NBI-34060
  • D02640
  • Indiplon (USAN)
  • Acetamide, N-methyl-N-(3-(3-(2-thienylcarbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-
  • Indiplon [USAN:INN]
  • NBI 34060

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus GABA receptor alpha-1 subunit 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
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Eukaryotic initiation factor 4A-III homolog GABA receptor alpha-1 subunit   455 aa 441 aa 23.8 %
Onchocerca volvulus GABA receptor alpha-1 subunit   455 aa 412 aa 33.7 %
Loa Loa (eye worm) excitatory GABA receptor EXP-1A GABA receptor alpha-1 subunit   455 aa 435 aa 29.0 %
Onchocerca volvulus GABA receptor alpha-1 subunit   455 aa 438 aa 26.0 %
Echinococcus multilocularis Cys loop ligand gated ion channel subunit GABA receptor alpha-1 subunit   455 aa 397 aa 29.2 %
Echinococcus multilocularis glycine receptor subunit beta GABA receptor alpha-1 subunit   455 aa 422 aa 28.2 %
Brugia malayi Cation transporter family protein GABA receptor alpha-1 subunit   455 aa 448 aa 27.7 %
Onchocerca volvulus GABA receptor alpha-1 subunit   455 aa 461 aa 24.5 %
Loa Loa (eye worm) hypothetical protein GABA receptor alpha-1 subunit   455 aa 460 aa 26.5 %
Onchocerca volvulus Putative cys-loop ligand gated ion channel subunit GABA receptor alpha-1 subunit   455 aa 420 aa 33.1 %
Loa Loa (eye worm) hypothetical protein GABA receptor alpha-1 subunit   455 aa 444 aa 25.4 %
Onchocerca volvulus GABA receptor alpha-1 subunit   455 aa 421 aa 26.8 %
Loa Loa (eye worm) hypothetical protein GABA receptor alpha-1 subunit   455 aa 445 aa 33.5 %
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) GABA receptor alpha-1 subunit   455 aa 391 aa 21.7 %
Onchocerca volvulus GABA receptor alpha-1 subunit   455 aa 434 aa 28.3 %
Onchocerca volvulus GABA receptor alpha-1 subunit   455 aa 438 aa 27.9 %
Echinococcus granulosus glycine receptor subunit beta GABA receptor alpha-1 subunit   455 aa 424 aa 28.5 %
Onchocerca volvulus GABA receptor alpha-1 subunit   455 aa 461 aa 27.8 %
Echinococcus multilocularis glycine receptor subunit alpha 1 GABA receptor alpha-1 subunit   455 aa 449 aa 29.8 %
Onchocerca volvulus GABA receptor alpha-1 subunit   455 aa 473 aa 27.5 %
Onchocerca volvulus Large subunit GTPase 1 homolog GABA receptor alpha-1 subunit   455 aa 455 aa 25.7 %
Onchocerca volvulus GABA receptor alpha-1 subunit   455 aa 447 aa 28.0 %
Schistosoma japonicum ko:K05194 glycine receptor, alpha 2, putative GABA receptor alpha-1 subunit   455 aa 432 aa 29.9 %
Onchocerca volvulus Gamma-aminobutyric acid receptor subunit beta homolog GABA receptor alpha-1 subunit   455 aa 449 aa 31.8 %
Echinococcus granulosus glycine receptor subunit alpha 1 GABA receptor alpha-1 subunit   455 aa 449 aa 29.8 %
Loa Loa (eye worm) hypothetical protein GABA receptor alpha-1 subunit   455 aa 401 aa 26.2 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA receptor alpha-1 subunit   455 aa 451 aa 30.2 %
Schistosoma mansoni Cys-loop ligand gated ion channel subunit GABA receptor alpha-1 subunit   455 aa 490 aa 29.6 %
Loa Loa (eye worm) hypothetical protein GABA receptor alpha-1 subunit   455 aa 451 aa 28.4 %
Schistosoma japonicum ko:K05195 glycine receptor, alpha 3, putative GABA receptor alpha-1 subunit   455 aa 489 aa 29.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.0282 0.2039 0.2308
Trypanosoma brucei unspecified product 0.0033 0.007 0.008
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0234 0.166 0.166
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0121 0.015
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.1038 0.8038 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.0107 0.0652 0.0811
Trypanosoma cruzi lanosterol synthase, putative 0.1139 0.8837 1
Schistosoma mansoni hypothetical protein 0.0103 0.0621 0.0621
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0044 0.0157 0.0196
Schistosoma mansoni cpg binding protein 0.0033 0.0068 0.0068
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.1038 0.8038 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0729 0.559 0.6955
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0146 0.0964 0.1199
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.0173 0.0215
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0496 0.3738 0.4651
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0044 0.005
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0121 0.0137
Loa Loa (eye worm) hypothetical protein 0.0282 0.2039 0.2262
Plasmodium falciparum protein farnesyltransferase subunit beta 0.1038 0.8038 1
Echinococcus multilocularis integrin alpha ps 0.0338 0.2485 0.3091
Leishmania major D-alanyl-glycyl endopeptidase-like protein,cysteine peptidase, Clan CA, family C51, putative 0.0045 0.0166 0.0206
Plasmodium falciparum plasmepsin IV 0.0051 0.0207 0.0258
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0054 0.006
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0496 0.3738 0.4651
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Giardia lamblia Prenyltransferase 0.1038 0.8038 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0135 0.0876 0.109
Loa Loa (eye worm) hypothetical protein 0.0176 0.1201 0.1332
Giardia lamblia Rab geranylgeranyltransferase 0.0475 0.3572 0.4333
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0282 0.2039 0.2537
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1038 0.8038 1
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0282 0.2039 0.2537
Trypanosoma brucei CHAP domain containing protein, putative 0.0045 0.0166 0.0188
Loa Loa (eye worm) hypothetical protein 0.0044 0.0157 0.0174
Loa Loa (eye worm) hypothetical protein 0.0034 0.0072 0.008
Echinococcus granulosus glutamate NMDA receptor subunit 0.0131 0.0843 0.1049
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0146 0.0964 0.1199
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0121 0.0137
Onchocerca volvulus 0.0031 0.0054 0.0152
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0051 0.0207 0.0258
Brugia malayi Cyclin, N-terminal domain containing protein 0.0044 0.0157 0.0196
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0729 0.559 0.559
Brugia malayi Probable ATP-dependent helicase DHX35 0.0034 0.0072 0.009
Trichomonas vaginalis cyclin B, putative 0.0044 0.0157 0.0196
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0475 0.3572 0.4042
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0146 0.0965 0.1071
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1038 0.8038 1
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0051 0.0207 0.0258
Trypanosoma brucei glutathionylspermidine synthetase, putative 0.0045 0.0166 0.0188
Leishmania major lanosterol synthase, putative 0.0857 0.6604 0.8217
Trypanosoma cruzi trypanothione synthetase-like protein, putative 0.0045 0.0166 0.0188
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0475 0.3572 0.4444
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0756 0.5805 0.7222
Loa Loa (eye worm) hypothetical protein 0.0046 0.0173 0.0192
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0067 0.0338 0.0421
Schistosoma mansoni integrin beta subunit 0.0184 0.1262 0.1262
Echinococcus granulosus glutamate receptor 2 0.0146 0.0964 0.1199
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0475 0.3572 0.4444
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0571 0.4337 0.4337
Echinococcus granulosus GPCR family 2 0.0046 0.0173 0.0215
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0146 0.0964 0.1199
Echinococcus granulosus furin 0.0571 0.4337 0.5396
Toxoplasma gondii aspartyl protease ASP1 0.0051 0.0207 0.0258
Trichomonas vaginalis cyclins, putative 0.0044 0.0157 0.0196
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0627 0.4778 0.53
Trypanosoma cruzi glutathionylspermidine synthase, putative 0.0736 0.5646 0.6388
Schistosoma mansoni hypothetical protein 0.0162 0.109 0.109
Echinococcus granulosus integrin alpha ps 0.0162 0.109 0.1356
Plasmodium vivax aspartyl proteinase, putative 0.0051 0.0207 0.0258
Trypanosoma brucei RNA helicase, putative 0.0103 0.0621 0.0703
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0121 0.0137
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0475 0.3572 0.4042
Loa Loa (eye worm) hypothetical protein 0.003 0.0044 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Schistosoma mansoni hypothetical protein 0.0107 0.0652 0.0652
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.0173 0.0215
Echinococcus multilocularis glutamate receptor 2 0.0146 0.0964 0.1199
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Schistosoma mansoni cathepsin D (A01 family) 0.0149 0.0988 0.0988
Echinococcus multilocularis expressed protein 0.0382 0.2838 0.353
Schistosoma mansoni hypothetical protein 0.0046 0.0173 0.0173
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0282 0.2039 0.2262
Schistosoma mansoni hypothetical protein 0.0046 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0571 0.4337 0.4811
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1038 0.8038 0.8915
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0121 0.0137
Giardia lamblia Rab geranylgeranyltransferase 0.0729 0.559 0.6894
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0475 0.3572 0.4042
Echinococcus granulosus cpg binding protein 0.0033 0.0068 0.0085
Toxoplasma gondii hypothetical protein 0.0475 0.3572 0.4444
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0475 0.3572 0.4444
Loa Loa (eye worm) integrin beta-2 0.0312 0.2278 0.2527
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0729 0.559 0.6955
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0282 0.2039 0.2537
Schistosoma mansoni hypothetical protein 0.01 0.0599 0.0599
Trypanosoma brucei mitotic cyclin 6 0.0044 0.0157 0.0178
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.1038 0.8038 1
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0282 0.2039 0.2537
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0475 0.3572 0.4444
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0729 0.559 0.6955
Trypanosoma cruzi hypothetical protein, conserved 0.0475 0.3572 0.4042
Brugia malayi celfurPC protein 0.0461 0.3461 0.4306
Trypanosoma cruzi cyclin 6, putative 0.0044 0.0157 0.0178
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0076 0.0409 0.0463
Leishmania major trypanothione synthetase-like protein 0.0045 0.0166 0.0206
Leishmania major trypanothione synthetase, putative 0.0045 0.0166 0.0206
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0282 0.2039 0.2537
Trichomonas vaginalis cyclin B, putative 0.0044 0.0157 0.0196
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0028 0.0031 0.0035
Echinococcus granulosus cyclin B 0.0044 0.0157 0.0196
Plasmodium falciparum plasmepsin I 0.0051 0.0207 0.0258
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0282 0.2039 0.2537
Loa Loa (eye worm) endoprotease bli-4 0.0571 0.4337 0.4811
Onchocerca volvulus 0.0044 0.0157 0.044
Echinococcus multilocularis 0.0461 0.3461 0.4306
Brugia malayi Calcitonin receptor-like protein seb-1 0.0146 0.0965 0.1201
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0332 0.0332
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0135 0.0876 0.109
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0146 0.0964 0.1199
Schistosoma mansoni ATP-binding cassette transporter 0.0131 0.0843 0.0843
Schistosoma mansoni glutamate receptor AMPA 0.0131 0.0843 0.0843
Leishmania major cyclin 0.0044 0.0157 0.0196
Trypanosoma brucei amidase, putative 0.0045 0.0166 0.0188
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0076 0.0409 1
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0024 0 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0076 0.0409 0.5
Trichomonas vaginalis cyclins, putative 0.0044 0.0157 0.0196
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0051 0.0207 0.0207
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0282 0.2039 0.2388
Schistosoma mansoni cyclin B 0.0044 0.0157 0.0157
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0282 0.2039 0.2537
Trypanosoma cruzi hypothetical protein, conserved 0.0475 0.3572 0.4042
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0135 0.0876 0.109
Loa Loa (eye worm) DEAH box polypeptide 35 0.0034 0.0072 0.008
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0276 0.0343
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0067 0.0338 0.0421
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0121 0.0137
Plasmodium falciparum plasmepsin VI 0.0051 0.0207 0.0258
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Echinococcus multilocularis nmda type glutamate receptor 0.0143 0.0941 0.1171
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0282 0.2039 0.2039
Schistosoma mansoni glutamate receptor kainate 0.0131 0.0843 0.0843
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0076 0.0409 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0143 0.0941 0.1171
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0143 0.0941 0.1171
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0729 0.559 0.6894
Trypanosoma brucei lanosterol synthase 0.1139 0.8837 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0475 0.3572 0.4444
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0121 0.0137
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0121 0.2954
Echinococcus granulosus Furin 1 0.0135 0.0876 0.109
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0051 0.0207 0.023
Loa Loa (eye worm) hypothetical protein 0.0047 0.0182 0.0202
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0282 0.2039 0.2039
Brugia malayi Glutamate receptor 2 precursor 0.0131 0.0843 0.1049
Echinococcus multilocularis NMDA receptor 0.0067 0.0338 0.0421
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0121 0.0137
Giardia lamblia Furin precursor putative serine protease 0.0111 0.0683 0.0667
Schistosoma mansoni integrin alpha-ps 0.0176 0.1201 0.1201
Trypanosoma cruzi protein farnesyltransferase, putative 0.1038 0.8038 0.9095
Trypanosoma cruzi CYC2-like cyclin, putative 0.0044 0.0157 0.0178
Trichomonas vaginalis cyclins, putative 0.0044 0.0157 0.0196
Brugia malayi polk-prov protein 0.003 0.0044 0.0055
Trypanosoma cruzi trypanothione synthetase 0.0142 0.0929 0.1051
Echinococcus multilocularis integrin alpha ps 0.0338 0.2485 0.3091
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0475 0.3572 0.4444
Loa Loa (eye worm) hypothetical protein 0.057 0.4326 0.4798
Loa Loa (eye worm) hypothetical protein 0.0162 0.109 0.1209
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0282 0.2039 0.2537
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0146 0.0964 0.1199
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0121 0.0137
Schistosoma mansoni hypothetical protein 0.0111 0.0683 0.0683
Echinococcus granulosus integrin alpha ps 0.0338 0.2485 0.3091
Trichomonas vaginalis cyclin A, putative 0.0044 0.0157 0.0196
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0028 0.0031 0.0035
Brugia malayi Integrin alpha pat-2 precursor 0.0753 0.5781 0.7192
Trypanosoma brucei trypanothione synthetase 0.0142 0.0929 0.1051
Leishmania major trypanothione synthetase, putative 0.0142 0.0929 0.1155
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0146 0.0964 0.1199
Trypanosoma cruzi cysteine peptidase, Clan CA, family C51, putative 0.0045 0.0166 0.0188
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0475 0.3572 0.4042
Toxoplasma gondii hypothetical protein 0.0255 0.1825 0.227
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0282 0.2039 0.2537
Echinococcus multilocularis glutamate receptor 2 0.0131 0.0843 0.1049
Schistosoma mansoni glutamate receptor kainate 0.0131 0.0843 0.0843
Loa Loa (eye worm) hypothetical protein 0.0592 0.4497 0.4988
Loa Loa (eye worm) integrin alpha pat-2 0.1161 0.9016 1
Schistosoma mansoni glutamate receptor NMDA 0.0146 0.0964 0.0964
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0107 0.0652 0.0811
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0107 0.0652 0.0811
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0596 0.453 0.5637
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0044 0.005
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0282 0.2039 0.2039
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.1038 0.8038 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0255 0.1825 0.227
Plasmodium vivax plasmepsin IV, putative 0.0051 0.0207 0.0258
Brugia malayi Kelch motif family protein 0.0051 0.0213 0.0265
Loa Loa (eye worm) hypothetical protein 0.0282 0.2039 0.2262
Trypanosoma cruzi trypanothione synthetase, putative 0.0045 0.0166 0.0188
Trichomonas vaginalis cyclin B, putative 0.0044 0.0157 0.0196
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Schistosoma mansoni cathepsin D (A01 family) 0.0149 0.0988 0.0988
Echinococcus granulosus glutamate receptor subunit protein glur 0.0067 0.0338 0.0421
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.0599 0.0745
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0051 0.0207 0.0258
Loa Loa (eye worm) hypothetical protein 0.0224 0.1584 0.1756
Echinococcus multilocularis cpg binding protein 0.0033 0.0068 0.0085
Echinococcus granulosus inhibitor of apoptosis protein 0.0107 0.0652 0.0811
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0282 0.2039 0.2537
Trypanosoma cruzi trypanothione synthetase, putative 0.0045 0.0166 0.0188
Plasmodium vivax geranylgeranyltransferase, putative 0.0282 0.2039 0.2537
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.0173 0.0192
Loa Loa (eye worm) hypothetical protein 0.0044 0.0157 0.0174
Schistosoma mansoni hypothetical protein 0.0067 0.0338 0.0338
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Brugia malayi hypothetical protein 0.0047 0.0182 0.0226
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.0173 0.0215
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0729 0.559 0.6955
Plasmodium vivax farnesyltransferase beta subunit, putative 0.1038 0.8038 1
Echinococcus granulosus expressed protein 0.0382 0.2838 0.353
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0107 0.0652 0.0652
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0121 0.0137
Brugia malayi Cyclin, N-terminal domain containing protein 0.0044 0.0157 0.0196
Echinococcus multilocularis integrin beta 2 0.0231 0.1638 0.2037
Schistosoma mansoni integrin alpha 0.0753 0.5781 0.5781
Trichomonas vaginalis cyclins, putative 0.0044 0.0157 0.0196
Trichomonas vaginalis cyclins, putative 0.003 0.0046 0.0058
Loa Loa (eye worm) proprotein convertase 2 0.0135 0.0876 0.0972
Trypanosoma cruzi trypanothione synthetase 0.0142 0.0929 0.1051
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0067 0.0338 0.0421
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0076 0.0409 0.5
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0282 0.2039 0.2388
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0135 0.0876 0.0876
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0475 0.3572 0.4444
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0067 0.0338 0.0421
Echinococcus multilocularis integrin alpha ps 0.0162 0.109 0.1356
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0729 0.559 0.6955
Onchocerca volvulus 0.0475 0.3572 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0135 0.0876 0.109
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0475 0.3572 0.4333
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1038 0.8038 1
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0028 0.0031 0.0035
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0107 0.0652 0.0811
Schistosoma mansoni glutamate receptor kainate 0.0131 0.0843 0.0843
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0051 0.0207 0.0258
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0067 0.0338 0.0421
Onchocerca volvulus 0.0107 0.0652 0.1825
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0067 0.0338 0.0421
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0121 0.0137
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0146 0.0964 0.1199
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0347 0.256 0.3185
Trypanosoma cruzi cyclin, putative 0.0044 0.0157 0.0178
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0347 0.256 0.3185
Loa Loa (eye worm) hypothetical protein 0.0416 0.3102 0.3441
Trypanosoma brucei protein farnesyltransferase beta subunit 0.1038 0.8038 0.9095
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.1038 0.8038 1
Schistosoma mansoni integrin alpha-ps 0.0338 0.2485 0.2485
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0135 0.0876 0.109
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0111 0.0683 0.0849
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0135 0.0876 0.109
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0475 0.3572 0.3962
Chlamydia trachomatis glutamine binding protein 0.0076 0.0409 0.5
Loa Loa (eye worm) hypothetical protein 0.0729 0.559 0.62
Trypanosoma cruzi cysteine peptidase, Clan CA, family C51, putative 0.0045 0.0166 0.0188
Loa Loa (eye worm) hypothetical protein 0.0107 0.0652 0.0723
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0121 0.2954
Leishmania major D-alanyl-glycyl endopeptidase-like protein,cysteine peptidase, Clan CA, family C51, putative 0.0045 0.0166 0.0206
Schistosoma mansoni glutamate receptor NMDA 0.0131 0.0843 0.0843
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0282 0.2039 0.2537
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0131 0.0843 0.1049
Loa Loa (eye worm) glutamate receptor 2 0.0131 0.0843 0.0935
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0121 0.0137
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0729 0.559 0.6955
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0282 0.2039 0.2308
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.1038 0.8038 1
Echinococcus granulosus integrin beta 2 0.0231 0.1638 0.2037
Trypanosoma cruzi cysteine peptidase, Clan CA, family C51, putative 0.0045 0.0166 0.0188
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0051 0.0213 0.0236
Echinococcus multilocularis GPCR, family 2 0.0046 0.0173 0.0215
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0475 0.3572 0.4444
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0475 0.3572 0.4042
Loa Loa (eye worm) glutamate receptor 1 0.0131 0.0843 0.0935
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0683 0.0849
Echinococcus granulosus integrin alpha 3 0.0578 0.4386 0.5457
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0024 0 0.5
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.1139 0.8837 1
Schistosoma mansoni cpg binding protein 0.0033 0.0068 0.0068
Echinococcus granulosus protein farnesyltransferase subunit beta 0.1038 0.8038 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0121 0.0137
Echinococcus multilocularis glutamate receptor 2 0.0079 0.0432 0.0537
Echinococcus multilocularis neuroendocrine convertase 2 0.0359 0.2654 0.3302
Leishmania major hypothetical protein, conserved 0.0045 0.0166 0.0206
Brugia malayi Glutamate receptor 1 precursor 0.0131 0.0843 0.1049
Schistosoma mansoni cpg binding protein 0.0031 0.0054 0.0054
Onchocerca volvulus Deterin homolog 0.0107 0.0652 0.1825
Trypanosoma brucei cysteine peptidase, Clan CA, family C51, putative 0.0045 0.0166 0.0188
Echinococcus multilocularis Furin 1 0.0135 0.0876 0.109
Echinococcus granulosus glutamate receptor 2 0.0079 0.0432 0.0537
Leishmania major farnesyltransferase beta subunit 0.1038 0.8038 1
Leishmania major geranylgeranyltransferase, putative 0.0282 0.2039 0.2537
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.1038 0.8038 1
Trypanosoma cruzi hypothetical protein, conserved 0.0282 0.2039 0.2308
Mycobacterium leprae Possible secreted protease 0.0024 0 0.5
Plasmodium falciparum plasmepsin II 0.0051 0.0207 0.0258
Brugia malayi Integrin alpha cytoplasmic region family protein 0.057 0.4326 0.5382
Brugia malayi endoprotease bli-4 precursor 0.0571 0.4337 0.5396
Schistosoma mansoni glutamate receptor AMPA 0.0131 0.0843 0.0843
Trichomonas vaginalis cyclin B, putative 0.0044 0.0157 0.0196
Trypanosoma cruzi protein farnesyltransferase, putative 0.1038 0.8038 0.9095
Giardia lamblia High cysteine membrane protein Group 2 0.0212 0.149 0.1691
Loa Loa (eye worm) hypothetical protein 0.0596 0.453 0.5025
Loa Loa (eye worm) hypothetical protein 0.0051 0.0207 0.023
Brugia malayi Integrin beta pat-3 precursor 0.0312 0.2278 0.2834
Schistosoma mansoni furin-1 (S08 family) 0.0249 0.1777 0.1777
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0282 0.2039 0.2308
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0282 0.2039 0.2537
Trypanosoma cruzi cysteine peptidase, Clan CA, family C51, putative 0.0045 0.0166 0.0188
Echinococcus granulosus dna polymerase kappa 0.004 0.0121 0.015
Trypanosoma brucei trypanothione synthetase, putative 0.0142 0.0929 0.1051
Trypanosoma brucei hypothetical protein, conserved 0.0475 0.3572 0.4042
Echinococcus multilocularis dna polymerase kappa 0.004 0.0121 0.015
Loa Loa (eye worm) hypothetical protein 0.0026 0.0011 0.0012
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0347 0.256 0.3185
Loa Loa (eye worm) hypothetical protein 0.0107 0.0652 0.0723
Trypanosoma brucei DNA polymerase IV, putative 0.0033 0.007 0.008
Trypanosoma cruzi cyclin, putative 0.0044 0.0157 0.0178
Trichomonas vaginalis hypothetical protein 0.0111 0.0683 0.0849
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0107 0.0652 0.0811
Echinococcus granulosus neuroendocrine convertase 2 0.0359 0.2654 0.3302
Trypanosoma brucei cysteine peptidase, Clan CA, family C51, putative 0.0045 0.0166 0.0188
Schistosoma mansoni hypothetical protein 0.0046 0.0173 0.0173
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0729 0.559 0.6955
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0166 0.0188
Echinococcus multilocularis integrin alpha 3 0.0578 0.4386 0.5457
Loa Loa (eye worm) hypothetical protein 0.01 0.0599 0.0664
Echinococcus multilocularis cyclin B 0.0044 0.0157 0.0196
Schistosoma mansoni hypothetical protein 0.0046 0.0173 0.0173
Brugia malayi CXXC zinc finger family protein 0.0031 0.0054 0.0067
Trypanosoma cruzi lanosterol synthase, putative 0.1139 0.8837 1
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0111 0.0683 0.0849
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0121 0.0137
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0729 0.559 0.62
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0489 0.3683 0.3683
Trypanosoma cruzi cysteine peptidase, Clan CA, family C51, putative 0.0045 0.0166 0.0188
Brugia malayi Latrophilin receptor protein 2 0.0046 0.0173 0.0215
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0146 0.0964 0.1199
Brugia malayi proprotein convertase 2 0.0359 0.2654 0.3302
Brugia malayi neuroendocrine convertase 1 precursor 0.0359 0.2654 0.3302
Giardia lamblia Rab geranylgeranyltransferase 0.0282 0.2039 0.2388
Plasmodium falciparum geranylgeranyltransferase, putative 0.0282 0.2039 0.2537
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0475 0.3572 0.4042
Schistosoma mansoni inhibitor of apoptosis protein 0.0107 0.0652 0.0652
Schistosoma mansoni protein farnesyltransferase subunit beta 0.1038 0.8038 0.8038
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0729 0.559 0.6955
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0121 0.0137
Brugia malayi Angiotensin-converting enzyme family protein 0.0627 0.4778 0.5945
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0121 0.015
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0347 0.256 0.3185
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0111 0.0683 0.0849
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0475 0.3572 0.4444
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0121 0.0137

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.29 nM Displacement of [3H]flunitrazepam from GABAA receptor in Sprague-Dawley rat cerebellar membrane ChEMBL. 18023192
Ki (binding) = 0.45 nM Displacement of [3H]Ro15-1788 from GABAA alpha1 receptor in Sprague-Dawley rat cerebral cortex membrane ChEMBL. 18023192
Ki (binding) = 0.45 nM Displacement of [3H]Ro15-1788 from GABAA alpha1 receptor in Sprague-Dawley rat cerebral cortex membrane ChEMBL. 18023192
Ki (binding) = 0.55 nM Displacement of [3H]Ro15-1788 from GABAA alpha1 receptor in Sprague-Dawley rat cerebellar membrane ChEMBL. 18023192
Ki (binding) = 0.55 nM Displacement of [3H]Ro15-1788 from GABAA alpha1 receptor in Sprague-Dawley rat cerebellar membrane ChEMBL. 18023192
Log D = 2.23 Distribution coefficient, log D of the compound by alkyl amide reversed phase method ChEMBL. 18023192
Log D = 2.26 Distribution coefficient, log D of the compound by C-18 reversed phase method ChEMBL. 18023192

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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