Detailed information for compound 408231

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1746.44 | Formula: C89H117ClN18O17
  • H donors: 17 H acceptors: 17 LogP: 6.93 Rotable bonds: 61
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCCCCCCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)NOC)Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO)Cc1cccnc1)Cc1ccc(cc1)Cl)Cc1ccc2c(c1)cccc2
  • InChi: 1S/C89H117ClN18O17/c1-8-9-10-11-12-24-75(110)97-67(47-58-25-32-60-20-13-14-21-61(60)43-58)80(115)100-68(44-55-26-33-62(90)34-27-55)82(117)102-71(48-59-19-17-39-92-50-59)84(119)104-73(51-109)85(120)103-70(46-56-28-35-63(36-29-56)95-78(113)72-49-76(111)106-88(123)105-72)83(118)101-69(45-57-30-37-64(38-31-57)96-89(124)107-125-7)81(116)99-66(42-52(2)3)79(114)98-65(22-15-16-40-93-53(4)5)87(122)108-41-18-23-74(108)86(121)94-54(6)77(91)112/h13-14,17,19-21,25-39,43,50,52-54,65-74,93,109H,8-12,15-16,18,22-24,40-42,44-49,51H2,1-7H3,(H2,91,112)(H,94,121)(H,95,113)(H,97,110)(H,98,114)(H,99,116)(H,100,115)(H,101,118)(H,102,117)(H,103,120)(H,104,119)(H2,96,107,124)(H2,105,106,111,123)/t54-,65+,66+,67-,68-,69-,70+,71-,72+,73+,74+/m1/s1
  • InChiKey: CYCBCOVMSJIGBZ-JZMKHTGVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens gonadotropin-releasing hormone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GnHR receptor homolog Get druggable targets OG5_131719 All targets in OG5_131719
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
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0126 0.0087
Loa Loa (eye worm) hypothetical protein 0.0071 0.0474 0.0437
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0111 0.086 0.0825
Brugia malayi prolyl oligopeptidase family protein 0.0111 0.086 0.084
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0692 0.6447 0.6434
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Plasmodium falciparum peptidase, putative 0.0111 0.086 0.1282
Schistosoma mansoni cathepsin D (A01 family) 0.0141 0.1148 0.1148
Echinococcus multilocularis integrin alpha 3 0.0234 0.2037 0.2037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0644 0.0644
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0111 0.086 0.086
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0087
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0422 0.385 0.3826
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0073 0.0496 0.0935
Loa Loa (eye worm) hypothetical protein 0.1061 1 1
Trypanosoma cruzi prolyl endopeptidase 0.1061 1 1
Schistosoma mansoni integrin alpha 0.0305 0.2722 0.2722
Echinococcus multilocularis prolyl endopeptidase 0.1061 1 1
Brugia malayi GnHR receptor homolog 0.0558 0.5164 0.5154
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0446 0.4083 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.194 0.2061
Loa Loa (eye worm) hypothetical protein 0.0095 0.0702 0.0666
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Loa Loa (eye worm) hypothetical protein 0.023 0.2001 0.197
Schistosoma mansoni integrin alpha-ps 0.0137 0.1104 0.1104
Loa Loa (eye worm) hypothetical protein 0.0168 0.1407 0.1374
Toxoplasma gondii ABC1 family protein 0.0035 0.0126 0.0087
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2001 0.2001
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1061 1 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.0422 0.0336
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0111 0.086 0.086
Trichomonas vaginalis inositol monophosphatase, putative 0.0073 0.0496 0.0585
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0111 0.086 0.0825
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0348 0.0348
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0496 0.0459
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0066 0.0422 0.0748
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0073 0.0496 0.0585
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0048 0.025 0.0212
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0692 0.6447 0.6447
Echinococcus granulosus integrin alpha ps 0.0065 0.0419 0.0419
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1061 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0644 0.0623
Loa Loa (eye worm) hypothetical protein 0.0037 0.0148 0.011
Leishmania major eukaryotic initiation factor 4a, putative 0.0692 0.6447 0.6434
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0087
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0692 0.6447 0.6447
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0692 0.6447 0.7181
Echinococcus granulosus geminin 0.0172 0.1446 0.1446
Plasmodium falciparum plasmepsin IV 0.0048 0.025 0.033
Leishmania major oligopeptidase b 0.0422 0.385 0.3826
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.017 0.1427 0.1394
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Onchocerca volvulus 0.0047 0.024 0.0116
Echinococcus granulosus inositol monophosphatase 1 0.0073 0.0496 0.0496
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0087
Schistosoma mansoni integrin alpha-ps 0.0071 0.0474 0.0474
Brugia malayi Integrin beta pat-3 precursor 0.0624 0.5796 0.5786
Loa Loa (eye worm) integrin alpha pat-2 0.047 0.431 0.4287
Toxoplasma gondii hypothetical protein 0.0111 0.086 0.0825
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0446 0.4083 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.1061 1 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0692 0.6447 0.6434
Leishmania major hypothetical protein, conserved 0.0035 0.0126 0.0087
Brugia malayi beta-lactamase family protein 0.0035 0.0126 0.0104
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0496 0.0459
Echinococcus multilocularis integrin alpha ps 0.0065 0.0419 0.0419
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0111 0.086 0.086
Plasmodium falciparum plasmepsin II 0.0048 0.025 0.033
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0126 0.0104
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0692 0.6447 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0111 0.086 0.0825
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.095 0.8929 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Trypanosoma cruzi oligopeptidase b 0.0422 0.385 0.3826
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0422 0.385 0.423
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.086 0.0825
Schistosoma mansoni inositol monophosphatase 0.0073 0.0496 0.0496
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0111 0.086 0.0825
Loa Loa (eye worm) hypothetical protein 0.0692 0.6447 0.6434
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0111 0.086 0.086
Entamoeba histolytica prolyl oligopeptidase family protein 0.0111 0.086 0.0612
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Trypanosoma brucei Peptide deformylase 2 0.017 0.1427 0.1394
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0073 0.0496 0.0459
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0087
Brugia malayi Bromodomain containing protein 0.0073 0.0491 0.047
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.017 0.1427 0.1394
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0334 0.0297
Echinococcus multilocularis geminin 0.0172 0.1446 0.1446
Plasmodium falciparum peptide deformylase 0.0446 0.4083 0.631
Plasmodium vivax RNA helicase-1, putative 0.0692 0.6447 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0111 0.086 0.0612
Brugia malayi eukaryotic initiation factor 4A 0.0692 0.6447 0.644
Schistosoma mansoni inositol monophosphatase 0.0073 0.0496 0.0496
Toxoplasma gondii aspartyl protease ASP1 0.0048 0.025 0.0212
Chlamydia trachomatis peptide deformylase 0.0446 0.4083 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0422 0.385 0.3826
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0692 0.6447 0.6447
Brugia malayi hypothetical protein 0.023 0.2001 0.1983
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2001 0.2001
Echinococcus granulosus prolyl endopeptidase 0.1061 1 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.017 0.1427 0.1394
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.025 0.025
Trypanosoma brucei prolyl oligopeptidase, putative 0.0422 0.385 0.3826
Entamoeba histolytica prolyl oligopeptidase family protein 0.0111 0.086 0.0612
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0258 0.022
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0095 0.0702 0.0666
Loa Loa (eye worm) hypothetical protein 0.0111 0.086 0.0825
Loa Loa (eye worm) inositol-1 0.0073 0.0496 0.0459
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0048 0.025 0.025
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0126 0.0087
Loa Loa (eye worm) hypothetical protein 0.0041 0.0188 0.015
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1061 1 1
Mycobacterium ulcerans peptide deformylase 0.0446 0.4083 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0125 0.0125
Brugia malayi prolyl oligopeptidase family protein 0.0111 0.086 0.084
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0126 0.0136
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0125 0.0125
Schistosoma mansoni bromodomain containing protein 0.0062 0.0381 0.0381
Brugia malayi Inositol-1 0.0073 0.0496 0.0475
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0446 0.4083 0.4495
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0111 0.086 0.086
Trypanosoma cruzi Peptide deformylase 2, putative 0.017 0.1427 0.1394
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0692 0.6447 0.6447
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0048 0.025 0.0196
Plasmodium falciparum plasmepsin VI 0.0048 0.025 0.033
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0422 0.385 0.3826
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0126 0.0087
Loa Loa (eye worm) hypothetical protein 0.0069 0.0451 0.0414
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0496 0.0459
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0422 0.385 0.9411
Leishmania major cathepsin L-like protease 0.0062 0.0386 0.0349
Loa Loa (eye worm) beta-lactamase 0.0035 0.0126 0.0087
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0111 0.086 0.0744
Echinococcus granulosus integrin alpha 3 0.0234 0.2037 0.2037
Brugia malayi beta-lactamase 0.0035 0.0126 0.0104
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0692 0.6447 0.6402
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0111 0.086 0.086
Brugia malayi Integrin alpha pat-2 precursor 0.0305 0.2722 0.2705
Entamoeba histolytica hypothetical protein, conserved 0.0111 0.086 0.0612
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0126 0.0126
Loa Loa (eye worm) integrin beta-2 0.0624 0.5796 0.5779
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0348 0.0348
Trypanosoma cruzi oligopeptidase b 0.0422 0.385 0.3826
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0386 0.0349
Leishmania major cathepsin L-like protease 0.0062 0.0386 0.0349
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0692 0.6447 0.6434
Echinococcus multilocularis inositol monophosphatase 1 0.0073 0.0496 0.0496
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0644 0.0644
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0422 0.385 0.3826
Echinococcus granulosus eukaryotic initiation factor 4A 0.0692 0.6447 0.6447
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0111 0.086 0.0825
Brugia malayi Bromodomain containing protein 0.0037 0.0147 0.0126
Trypanosoma brucei prolyl endopeptidase 0.1061 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0386 0.0349
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.086 0.0825
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0126 0.0126
Schistosoma mansoni cathepsin D (A01 family) 0.0141 0.1148 0.1148
Brugia malayi Kelch motif family protein 0.0095 0.0702 0.0681
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Loa Loa (eye worm) hypothetical protein 0.004 0.017 0.0132
Brugia malayi Integrin alpha cytoplasmic region family protein 0.023 0.2007 0.199
Toxoplasma gondii prolyl endopeptidase 0.1061 1 1
Schistosoma mansoni hypothetical protein 0.0172 0.1446 0.1446
Echinococcus granulosus integrin beta 2 0.0462 0.4239 0.4239
Loa Loa (eye worm) hypothetical protein 0.0239 0.2091 0.2061
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0386 0.0349
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0692 0.6447 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0087
Echinococcus multilocularis integrin beta 2 0.0462 0.4239 0.4239
Brugia malayi prolyl oligopeptidase family protein 0.0111 0.086 0.084
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Loa Loa (eye worm) prolyl oligopeptidase 0.0111 0.086 0.0825
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0111 0.086 0.086
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0073 0.0496 0.0585
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0111 0.086 0.1161
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0111 0.086 0.0825
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0126 0.0126
Trypanosoma brucei oligopeptidase b 0.0422 0.385 0.3826
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0644 0.0644
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0386 0.0349
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0111 0.086 0.0825
Loa Loa (eye worm) hypothetical protein 0.0048 0.025 0.0212
Loa Loa (eye worm) hypothetical protein 0.0111 0.086 0.0825
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0422 0.385 0.9411
Leishmania major cathepsin L-like protease 0.0062 0.0386 0.0349
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.024 0.0219
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0087
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0496 0.0459
Trypanosoma brucei Polypeptide deformylase 1 0.017 0.1427 0.1394
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0692 0.6447 0.6434
Schistosoma mansoni hypothetical protein 0.0047 0.024 0.024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0644 0.0644
Loa Loa (eye worm) hypothetical protein 0.0065 0.0419 0.0382
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0386 0.0349
Brugia malayi hypothetical protein 0.0095 0.0702 0.0681
Leishmania major eukaryotic initiation factor 4a, putative 0.0692 0.6447 0.6434
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0111 0.086 0.1161
Echinococcus granulosus acylamino acid releasing enzyme 0.0111 0.086 0.086
Brugia malayi hypothetical protein 0.0026 0.0039 0.0017
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0048 0.025 0.025
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0111 0.086 0.0612
Echinococcus multilocularis integrin alpha ps 0.0137 0.1104 0.1104
Echinococcus granulosus Dipeptidyl peptidase 9 0.0111 0.086 0.086
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0644 0.0644
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.086 0.1161
Plasmodium falciparum plasmepsin I 0.0048 0.025 0.033
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0692 0.6447 1
Plasmodium vivax aspartyl proteinase, putative 0.0048 0.025 0.033
Schistosoma mansoni hypothetical protein 0.0065 0.0419 0.0419
Plasmodium vivax plasmepsin IV, putative 0.0048 0.025 0.033
Leishmania major polypeptide deformylase-like protein, putative 0.017 0.1427 0.1394
Entamoeba histolytica prolyl oligopeptidase family protein 0.0111 0.086 0.0612
Loa Loa (eye worm) hypothetical protein 0.023 0.2007 0.1976
Echinococcus multilocularis integrin alpha ps 0.0137 0.1104 0.1104
Echinococcus multilocularis acylamino acid releasing enzyme 0.0111 0.086 0.086
Treponema pallidum ATP-dependent RNA helicase 0.0692 0.6447 1
Plasmodium vivax hypothetical protein, conserved 0.0111 0.086 0.1282
Echinococcus granulosus integrin alpha ps 0.0137 0.1104 0.1104
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0692 0.6447 0.6447
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0111 0.086 0.0825
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0644 0.0607
Toxoplasma gondii hypothetical protein 0.0446 0.4083 0.406
Mycobacterium tuberculosis Probable peptidase 0.0422 0.385 0.423
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0111 0.086 0.0825
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0692 0.6447 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.024 0.024
Brugia malayi beta-lactamase family protein 0.0035 0.0126 0.0104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0644 0.0644
Brugia malayi prolyl oligopeptidase family protein 0.0111 0.086 0.084
Schistosoma mansoni integrin beta subunit 0.0367 0.3326 0.3326
Plasmodium falciparum eukaryotic initiation factor 4A 0.0692 0.6447 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0692 0.6447 1
Plasmodium vivax peptide deformylase, putative 0.0446 0.4083 0.631
Schistosoma mansoni hypothetical protein 0.0172 0.1446 0.1446
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0048 0.025 0.0212
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0126 0.0126
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0126 0.0087

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = -8.02 Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibition of GnRH-induced LH secretion by reporter gene assay ChEMBL. 16759096
IC50 (functional) = 9.47 nM Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibition of GnRH-induced LH secretion by reporter gene assay ChEMBL. 16759096
IC50 (functional) = 9.47 nM Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibition of GnRH-induced LH secretion by reporter gene assay ChEMBL. 16759096
Log IC50 (functional) = 8.02 Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibition of GnRH-induced LH secretion by reporter gene assay ChEMBL. 16759096

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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