Detailed information for compound 1465540

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 762.678 | Formula: C39H41Cl2N5O7
  • H donors: 4 H acceptors: 7 LogP: 4.06 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C[N+]12CC[N+](CC1)(CC2)Cc1ccc2c(c1)C(=O)c1c2cc(cc1)C1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1ccccc1C(=O)N.[Cl-].[Cl-]
  • InChi: 1S/C39H39N5O7.2ClH/c1-21-32(35(39(50)51)42-34(21)33(22(2)45)38(42)49)24-8-10-26-28(18-24)25-9-7-23(17-29(25)36(26)47)19-43-11-14-44(15-12-43,16-13-43)20-31(46)41-30-6-4-3-5-27(30)37(40)48;;/h3-10,17-18,21-22,33-34,45H,11-16,19-20H2,1-2H3,(H2-2,40,41,46,48,50,51);2*1H/t21-,22+,33+,34+,43?,44?;;/m0../s1
  • InChiKey: MFEDPOXWNCZZIM-HEVUKVLQSA-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
Staphylococcus aureus PBP2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum penicillin-binding protein (pbp-2) Get druggable targets OG5_129763 All targets in OG5_129763
Neospora caninum hypothetical protein Get druggable targets OG5_129763 All targets in OG5_129763
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 Get druggable targets OG5_129763 All targets in OG5_129763
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE Get druggable targets OG5_129763 All targets in OG5_129763
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase Get druggable targets OG5_129763 All targets in OG5_129763
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129763 All targets in OG5_129763
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN PBP2   727 aa 593 aa 22.9 %
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 PBP2   727 aa 587 aa 23.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni retinoic acid receptor RXR 0.0726 0.3366 1
Schistosoma mansoni thyroid hormone receptor 0.0726 0.3366 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0383 0.1751 0.1751
Brugia malayi nuclear hormone receptor family member odr-7 0.0342 0.1557 0.1507
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Brugia malayi nuclear receptor RXR 0.0383 0.1751 0.1702
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0342 0.1557 0.1813
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0027 0.0068 0.0008
Onchocerca volvulus 0.0046 0.016 0.0305
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0028 0.0075 0.0252
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0027 0.0068 0.0213
Echinococcus granulosus FTZ F1 alpha 0.0726 0.3366 0.4045
Trichomonas vaginalis cyclins, putative 0.0074 0.0292 0.1059
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0028 0.0075 0.0252
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0068 0.0213
Loa Loa (eye worm) nuclear receptor NHR-67 0.0342 0.1557 0.1557
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0057 0.0214 0.5
Leishmania major cyclin 0.0074 0.0292 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0342 0.1557 0.4483
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0383 0.1751 0.1751
Echinococcus multilocularis nuclear receptor nhr 48 0.0342 0.1557 0.4483
Schistosoma mansoni nuclear hormone receptor 0.0342 0.1557 0.4483
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0383 0.1751 0.2052
Plasmodium vivax protein kinase Crk2 0.0043 0.0145 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0068 0.0213
Chlamydia trachomatis transglycolase/transpeptidase 0.0057 0.0214 0.5
Schistosoma mansoni thyroid hormone receptor 0.0726 0.3366 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0028 0.0075 0.0575
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0075 0.0575
Trypanosoma brucei mitotic cyclin 6 0.0074 0.0292 1
Brugia malayi hypothetical protein 0.0342 0.1557 0.1507
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0243 0.1087 1
Trichomonas vaginalis conserved hypothetical protein 0.0439 0.2012 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0074 0.0292 0.0234
Brugia malayi nuclear hormone receptor family member nhr-6 0.0342 0.1557 0.1507
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0342 0.1557 0.453
Loa Loa (eye worm) hypothetical protein 0.0726 0.3366 0.3366
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0043 0.0145 0.007
Schistosoma mansoni nuclear receptor 0.0342 0.1557 0.4483
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0726 0.3366 0.3326
Mycobacterium leprae Polyketide synthase Pks13 0.004 0.0129 0.0525
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0726 0.3366 0.3326
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0726 0.3366 0.3326
Brugia malayi Protein kinase domain containing protein 0.0043 0.0145 0.0086
Brugia malayi Nuclear hormone receptor-like 1 0.0383 0.1751 0.1702
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0027 0.0068 0.0503
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0726 0.3366 1
Loa Loa (eye worm) hypothetical protein 0.0726 0.3366 0.3366
Trichomonas vaginalis cyclin B, putative 0.0074 0.0292 0.1059
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0726 0.3366 0.3326
Brugia malayi tailless protein 0.0342 0.1557 0.1507
Trypanosoma cruzi cyclin, putative 0.0074 0.0292 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0342 0.1557 0.453
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0726 0.3366 0.3366
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.0145 0.0173
Giardia lamblia Kinase, CMGC CDK 0.0043 0.0145 0.2782
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0074 0.0292 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.004 0.0129 0.1079
Loa Loa (eye worm) hypothetical protein 0.0726 0.3366 0.3366
Brugia malayi nuclear receptor NHR-88 0.0726 0.3366 0.3326
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0022 0.0045 0.0291
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0726 0.3366 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0145 0.0173
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0726 0.3366 0.4045
Brugia malayi nuclear receptor RXR 0.0342 0.1557 0.1507
Loa Loa (eye worm) hypothetical protein 0.0043 0.0146 0.0146
Schistosoma mansoni cyclin B 0.0074 0.0292 0.0621
Brugia malayi Nuclear hormone receptor-like 1 0.0726 0.3366 0.3326
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0726 0.3366 0.4045
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0026 0.0064 0.0467
Mycobacterium ulcerans polyketide synthase Pks13 0.004 0.0129 0.0525
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0726 0.3366 0.3366
Mycobacterium ulcerans thioesterase 0.0022 0.0047 0.0108
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0027 0.0068 0.0213
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.0145 0.0145
Giardia lamblia G2/mitotic-specific cyclin B 0.0074 0.0292 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0342 0.1557 0.4483
Trypanosoma cruzi CYC2-like cyclin, putative 0.0074 0.0292 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0726 0.3366 0.3326
Loa Loa (eye worm) hypothetical protein 0.0726 0.3366 0.3366
Schistosoma mansoni coup transcription factor 0.0726 0.3366 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0043 0.0145 1
Brugia malayi hypothetical protein 0.0342 0.1557 0.1507
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0726 0.3366 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.0145 0.2782
Schistosoma mansoni nuclear hormone receptor 0.0726 0.3366 1
Echinococcus multilocularis FTZ F1 alpha 0.0726 0.3366 1
Schistosoma mansoni nuclear hormone receptor 0.0342 0.1557 0.4483
Mycobacterium leprae Probable polyketide synthase Pks1 0.0028 0.0075 0.0252
Loa Loa (eye worm) hypothetical protein 0.0383 0.1751 0.1751
Loa Loa (eye worm) hypothetical protein 0.0015 0.0013 0.0013
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0342 0.1557 0.4483
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Brugia malayi hypothetical protein 0.0383 0.1751 0.1702
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0726 0.3366 1
Brugia malayi Nuclear hormone receptor-like 1 0.0383 0.1751 0.1702
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0043 0.0145 0.0145
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0439 0.2012 1
Trypanosoma cruzi cyclin, putative 0.0074 0.0292 1
Onchocerca volvulus 0.0074 0.0292 0.0703
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0068 0.0503
Echinococcus granulosus cyclin dependent kinase 0.0043 0.0145 0.007
Brugia malayi Cyclin, N-terminal domain containing protein 0.0031 0.0088 0.0029
Loa Loa (eye worm) hypothetical protein 0.0074 0.0292 0.0292
Echinococcus granulosus cyclin dependent kinase 5 0.0043 0.0145 0.007
Echinococcus granulosus Nuclear hormone receptor HR96 0.0342 0.1557 0.1813
Loa Loa (eye worm) hypothetical protein 0.0726 0.3366 0.3366
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0726 0.3366 1
Loa Loa (eye worm) steroid hormone receptor 0.2132 1 1
Schistosoma mansoni zinc finger protein 0.0342 0.1557 0.4483
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0057 0.0214 0.0948
Brugia malayi nuclear receptor NHR-88 0.0342 0.1557 0.1507
Brugia malayi Steroid receptor seven-up type 2 0.0726 0.3366 0.3326
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0726 0.3366 0.3366
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0243 0.1087 0.5345
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0726 0.3366 0.4045
Brugia malayi nuclear hormone receptor 0.0342 0.1557 0.1507
Trichomonas vaginalis cyclins, putative 0.0074 0.0292 0.1059
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0383 0.1751 0.5073
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0025 0.0059 0.0059
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0019 0.0032 0.0175
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0068 0.0503
Brugia malayi Nuclear hormone receptor E75 0.0342 0.1557 0.1507
Loa Loa (eye worm) hypothetical protein 0.0726 0.3366 0.3366
Echinococcus granulosus thyroid hormone receptor alpha 0.1749 0.8191 1
Treponema pallidum penicillin-binding protein (pbp-2) 0.0439 0.2012 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0726 0.3366 0.3366
Loa Loa (eye worm) hypothetical protein 0.0726 0.3366 0.3366
Mycobacterium tuberculosis Polyketide synthase Pks13 0.004 0.0129 0.1079
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0342 0.1557 0.4483
Echinococcus granulosus cyclin B 0.0074 0.0292 0.0251
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0342 0.1557 0.1557
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0342 0.1557 0.4483
Toxoplasma gondii hypothetical protein 0.0023 0.0053 0.3397
Trypanosoma cruzi cyclin 6, putative 0.0074 0.0292 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0075 0.0252
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0057 0.0214 0.1863
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.0145 0.0173
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0021 0.0043 0.009
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.0075 0.0252
Echinococcus multilocularis cyclin B 0.0074 0.0292 0.0621
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0028 0.0075 0.0575
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0726 0.3366 0.3366
Loa Loa (eye worm) hypothetical protein 0.0383 0.1751 0.1751
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.0145 0.0145
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0068 0.0213
Loa Loa (eye worm) cyclin domain-containing protein 0.0031 0.0088 0.0088
Schistosoma mansoni RAR-like nuclear receptor 0.0726 0.3366 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0726 0.3366 1
Mycobacterium ulcerans polyketide synthase 0.0027 0.0068 0.0213
Mycobacterium ulcerans thioesterase TesA 0.0022 0.0047 0.0108
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0026 0.0064 0.0467
Loa Loa (eye worm) hypothetical protein 0.0045 0.0153 0.0153
Onchocerca volvulus Fatty acid synthase homolog 0.0048 0.0168 0.0329
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0726 0.3366 1
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0196 0.0867 0.7953
Echinococcus granulosus cyclin dependent kinase 1 0.0043 0.0145 0.007
Brugia malayi photoreceptor-specific nuclear receptor 0.0726 0.3366 0.3326
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0726 0.3366 0.3366
Brugia malayi conserved hypotetical protein 0.0342 0.1557 0.1507
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0726 0.3366 1
Loa Loa (eye worm) nuclear hormone receptor 0.0342 0.1557 0.1557
Brugia malayi Nuclear hormone receptor E75 0.0342 0.1557 0.1507
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0145 0.0294
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0726 0.3366 0.3326
Loa Loa (eye worm) DR-78 0.0342 0.1557 0.1557
Schistosoma mansoni nuclear receptor nhr-48 0.0342 0.1557 0.4483
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0342 0.1557 0.1507
Loa Loa (eye worm) hypothetical protein 0.0383 0.1751 0.1751
Brugia malayi hypothetical protein 0.0383 0.1751 0.1702
Echinococcus multilocularis ecdysone induced protein 78C 0.0726 0.3366 1
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0145 0.0294
Onchocerca volvulus 0.0726 0.3366 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0383 0.1751 0.5073
Loa Loa (eye worm) hypothetical protein 0.0074 0.0292 0.0292
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0017 0.0024 0.129
Brugia malayi orphan nuclear receptor NR2E1 0.0342 0.1557 0.1507
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.0145 0.0294
Toxoplasma gondii type I fatty acid synthase, putative 0.0028 0.0075 0.5011
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0243 0.1087 0.5345
Loa Loa (eye worm) hypothetical protein 0.0383 0.1751 0.1751
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0726 0.3366 0.4045
Trichomonas vaginalis cyclin B, putative 0.0074 0.0292 0.1059
Chlamydia trachomatis transglycolase/transpeptidase 0.0057 0.0214 0.5
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0057 0.0214 0.1863
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0726 0.3366 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0726 0.3366 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0726 0.3366 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0025 0.0059 0.0426
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0383 0.1751 0.5073
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0726 0.3366 0.3366
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.005 0.018 0.0121
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0057 0.0214 0.0948
Trichomonas vaginalis cyclin B, putative 0.0074 0.0292 0.1059
Trichomonas vaginalis cyclin B, putative 0.0074 0.0292 0.1059
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0726 0.3366 0.3326
Brugia malayi nuclear hormone receptor 0.0726 0.3366 0.3326
Mycobacterium tuberculosis Probable thioesterase TesA 0.0022 0.0047 0.0309
Trichomonas vaginalis cyclins, putative 0.0051 0.0181 0.0484
Toxoplasma gondii type I fatty acid synthase, putative 0.0019 0.0032 0.1858
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.0145 0.2782
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0022 0.0047 0.0108
Trichomonas vaginalis cyclins, putative 0.0074 0.0292 0.1059
Brugia malayi nuclear receptor NHR-67 0.0342 0.1557 0.1507
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0726 0.3366 0.3326
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.0145 0.0173
Brugia malayi cell division control protein 2 homolog 0.0043 0.0145 0.0086
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0342 0.1557 0.1813
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0726 0.3366 0.3326
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0726 0.3366 0.3326
Echinococcus multilocularis thyroid hormone receptor alpha 0.0726 0.3366 1
Entamoeba histolytica cyclin, putative 0.0074 0.0292 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0726 0.3366 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0342 0.1557 0.1813
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0726 0.3366 0.4045
Loa Loa (eye worm) hypothetical protein 0.0726 0.3366 0.3366
Echinococcus granulosus ecdysone induced protein 78C 0.0726 0.3366 0.4045
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0726 0.3366 0.3326
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0726 0.3366 0.4045
Trichomonas vaginalis cyclin A, putative 0.0074 0.0292 0.1059
Loa Loa (eye worm) hypothetical protein 0.0342 0.1557 0.1557
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0726 0.3366 0.3326
Brugia malayi ecdysone receptor 0.0342 0.1557 0.1507
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0342 0.1557 0.4483
Onchocerca volvulus 0.0342 0.1557 0.453
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0439 0.2012 1
Schistosoma mansoni nuclear receptor 0.0342 0.1557 0.4483
Brugia malayi ecdysteroid receptor 0.0726 0.3366 0.3326
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0726 0.3366 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0726 0.3366 1
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0057 0.0214 0.0948
Giardia lamblia Kinase, CMGC CDK 0.0043 0.0145 0.2782
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0342 0.1557 0.4483
Brugia malayi Cyclin, N-terminal domain containing protein 0.0074 0.0292 0.0234
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0021 0.0043 0.009
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0057 0.0214 0.0948
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0726 0.3366 0.3326
Onchocerca volvulus 0.0342 0.1557 0.453
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0726 0.3366 1
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0057 0.0214 0.0948
Echinococcus multilocularis cyclin dependent kinase 5 0.0043 0.0145 0.0173
Echinococcus multilocularis cyclin dependent kinase 0.0043 0.0145 0.0173
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0021 0.0043 0.009
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0726 0.3366 0.4045
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0068 0.0213
Onchocerca volvulus Bile acid receptor homolog 0.0726 0.3366 1
Echinococcus granulosus nuclear receptor nhr 48 0.0342 0.1557 0.1813
Mycobacterium ulcerans polyketide synthase 0.0028 0.0075 0.0252
Loa Loa (eye worm) fatty acid synthase 0.0026 0.0066 0.0066
Plasmodium falciparum protein kinase 5 0.0043 0.0145 1
Trichomonas vaginalis cyclins, putative 0.0074 0.0292 0.1059

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.78 ug ml-1 Binding affinity against PBP2a receptor by competition analysis with [3H]-benzylpenicillin using cell membrane fractions from the MRSA COL strain. ChEMBL. 10576693

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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