Detailed information for compound 136047

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 597.739 | Formula: C34H47NO8
  • H donors: 1 H acceptors: 4 LogP: 5.99 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@H](CC(=O)OC)N(C(=O)O1)Cc1ccc(c(c1)OC)O)[C@H](C=C2)C)C
  • InChi: 1S/C34H47NO8/c1-7-21(3)33(38)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(37)41-6)35(34(39)42-26)19-23-9-13-28(36)29(16-23)40-5/h8-10,13-14,16,20-22,25-27,30,32,36H,7,11-12,15,17-19H2,1-6H3/t20-,21-,22-,25+,26+,27-,30-,32-/m0/s1
  • InChiKey: DLXSYTAQBCLTQI-XFAJEYMZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens integrin, alpha L (antigen CD11A (p180), lymphocyte function-associated antigen 1 References
Homo sapiens intercellular adhesion molecule 1 References
Homo sapiens integrin, beta 2 (complement component 3 receptor 3 and 4 subunit) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Integrin beta-PS precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Brugia malayi Integrin beta pat-3 precursor Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06464 integrin beta 2, putative Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin beta-2 Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
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
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1083 0.2063
Brugia malayi RNA, U transporter 1 0.0086 0.0701 0.1336
Trypanosoma brucei Heat shock protein 83, putative 0.0044 0.0169 0.0555
Echinococcus multilocularis heat shock protein 0.0044 0.0169 0.0396
Brugia malayi Nuclear hormone receptor-like 1 0.0062 0.0395 0.0752
Echinococcus granulosus solute carrier family 5 0.004 0.0115 0.0269
Echinococcus multilocularis nuclear receptor nhr 48 0.0055 0.0309 0.0725
Mycobacterium ulcerans putative regulatory protein 0.0075 0.0567 0.144
Brugia malayi Cytochrome P450 family protein 0.0042 0.0141 0.0268
Brugia malayi 6-phosphofructokinase 0.0105 0.0951 0.181
Echinococcus granulosus thyroid hormone receptor alpha 0.0055 0.0309 0.0725
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0275 0.314 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0055 0.0309 0.0725
Echinococcus granulosus nuclear receptor nhr 48 0.0055 0.0309 0.0725
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0275 0.314 1
Schistosoma mansoni RAR-like nuclear receptor 0.0117 0.1105 0.2587
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Loa Loa (eye worm) integrin alpha pat-2 0.0146 0.1481 0.282
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0951 1
Brugia malayi GH02984p 0.0363 0.427 0.8132
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0951 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0023 0.0044
Trypanosoma brucei RNA helicase, putative 0.023 0.2564 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Echinococcus granulosus FTZ F1 alpha 0.0117 0.1105 0.2587
Echinococcus multilocularis sodium:myo inositol cotransporter 0.004 0.0115 0.0269
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0033 0.0028 0.0163
Brugia malayi orphan nuclear receptor NR2E1 0.0055 0.0309 0.0589
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0038 0.0087 0.0203
Loa Loa (eye worm) hypothetical protein 0.0363 0.427 0.8132
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0117 0.1105 0.2103
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0075 0.0567 0.144
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0275 0.314 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0275 0.314 1
Brugia malayi Uncoordinated protein 44 0.0031 0.000000023218 0.000000044216
Loa Loa (eye worm) hypothetical protein 0.0117 0.1105 0.2103
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0075 0.0567 0.144
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0033 0.0028 0.0163
Echinococcus multilocularis solute carrier family 5 0.004 0.0115 0.0269
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0117 0.1105 0.2587
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0951 0.2545
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0951 0.181
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0062 0.0395 0.0924
Echinococcus multilocularis integrin alpha 3 0.0032 0.0008 0.0019
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0117 0.1105 0.2587
Echinococcus granulosus integrin alpha 3 0.0032 0.0008 0.0019
Loa Loa (eye worm) hypothetical protein 0.0048 0.0219 0.0417
Brugia malayi heat shock protein 90 0.0044 0.0169 0.0322
Brugia malayi tailless protein 0.0055 0.0309 0.0589
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0275 0.314 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0075 0.0567 0.144
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0169 0.1527
Onchocerca volvulus 0.0047 0.0199 0.1802
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0117 0.1105 0.2587
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0168 0.0394
Brugia malayi Integrin beta pat-3 precursor 0.0439 0.5251 1
Schistosoma mansoni nuclear hormone receptor 0.0117 0.1105 0.2587
Schistosoma mansoni nuclear hormone receptor 0.0055 0.0309 0.0725
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.0951 0.2716
Loa Loa (eye worm) hypothetical protein 0.0117 0.1105 0.2103
Entamoeba histolytica heat shock protein 90, putative 0.0044 0.0169 0.0389
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0275 0.314 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0055 0.0309 0.0589
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0951 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0055 0.0309 0.0589
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0031 0.0003 0.0008
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Brugia malayi Nuclear hormone receptor E75 0.0055 0.0309 0.0589
Schistosoma mansoni hypothetical protein 0.0321 0.3736 0.8748
Plasmodium falciparum heat shock protein 90 0.0044 0.0169 0.0895
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Brugia malayi photoreceptor-specific nuclear receptor 0.0117 0.1105 0.2103
Brugia malayi Integrin alpha pat-2 precursor 0.0066 0.0452 0.086
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0117 0.1105 0.2103
Onchocerca volvulus Bile acid receptor homolog 0.0117 0.1105 1
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0951 1
Loa Loa (eye worm) heat shock protein 90 0.0044 0.0169 0.0322
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.0951 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0115 0.0218
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0117 0.1105 0.2587
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.0951 1
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Schistosoma mansoni nuclear receptor 0.0055 0.0309 0.0725
Schistosoma mansoni hypothetical protein 0.0032 0.0008 0.0019
Trypanosoma brucei heat shock protein, putative 0.0044 0.0169 0.0555
Brugia malayi steroid hormone receptor 0.0117 0.1105 0.2103
Schistosoma mansoni thyroid hormone receptor 0.0117 0.1105 0.2587
Loa Loa (eye worm) hypothetical protein 0.0069 0.0487 0.0927
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0023 0.0044
Brugia malayi Kelch motif family protein 0.0069 0.0487 0.0927
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0055 0.0309 0.0725
Brugia malayi Steroid receptor seven-up type 2 0.0117 0.1105 0.2103
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0275 0.314 1
Brugia malayi nuclear receptor NHR-88 0.0055 0.0309 0.0589
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0219 0.0417
Echinococcus multilocularis integrin alpha ps 0.0066 0.0452 0.1058
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0951 0.2226
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0075 0.0567 0.144
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0169 0.1527
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0117 0.1105 0.2103
Loa Loa (eye worm) cytochrome P450 family protein 0.0042 0.0141 0.0268
Loa Loa (eye worm) hypothetical protein 0.0031 0.0003 0.0006
Echinococcus granulosus heat shock protein 0.0044 0.0169 0.0396
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0117 0.1105 0.2103
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0275 0.314 1
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0951 0.2545
Mycobacterium ulcerans hypothetical protein 0.0075 0.0567 0.144
Echinococcus multilocularis heat shock protein 90 0.0038 0.0087 0.0203
Loa Loa (eye worm) hypothetical protein 0.0034 0.0043 0.0082
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0033 0.0028 0.0066
Schistosoma mansoni nuclear hormone receptor 0.0055 0.0309 0.0725
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.0951 0.181
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Toxoplasma gondii Hsp90 domain-containing protein 0.0168 0.1758 0.1735
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0117 0.1105 0.2103
Loa Loa (eye worm) hypothetical protein 0.0228 0.2539 0.4835
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0033 0.0028 0.0066
Brugia malayi nuclear receptor RXR 0.0062 0.0395 0.0752
Echinococcus granulosus sodium:glucose cotransporter 0.004 0.0115 0.0269
Echinococcus granulosus heat shock protein 90 0.0038 0.0087 0.0203
Echinococcus multilocularis geminin 0.0164 0.1706 0.3994
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0117 0.1105 0.2103
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0315 0.3652 0.8553
Brugia malayi Nuclear hormone receptor-like 1 0.0117 0.1105 0.2103
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0275 0.314 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0075 0.0567 0.144
Loa Loa (eye worm) hypothetical protein 0.0062 0.0395 0.0752
Brugia malayi Endoplasmin precursor 0.0044 0.0169 0.0322
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0117 0.1105 0.2587
Loa Loa (eye worm) endoplasmin 0.0044 0.0169 0.0322
Schistosoma mansoni coup transcription factor 0.0117 0.1105 0.2587
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0112 0.1037 0.1975
Loa Loa (eye worm) hypothetical protein 0.0117 0.1105 0.2103
Schistosoma mansoni thyroid hormone receptor 0.0117 0.1105 0.2587
Echinococcus multilocularis thyroid hormone receptor alpha 0.0117 0.1105 0.2587
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0168 0.0394
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.004 0.0115 0.0087
Schistosoma mansoni hypothetical protein 0.023 0.2564 0.6005
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0275 0.314 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0117 0.1105 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0168 0.0394
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0219 0.0417
Entamoeba histolytica hypothetical protein 0.0315 0.3652 1
Trypanosoma brucei heat shock protein, putative 0.0044 0.0169 0.0555
Brugia malayi hypothetical protein 0.0055 0.0309 0.0589
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0055 0.0309 0.0725
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0275 0.314 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0168 0.0394
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Brugia malayi nuclear hormone receptor family member nhr-6 0.0055 0.0309 0.0589
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0117 0.1105 0.2103
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0275 0.314 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0117 0.1105 0.2587
Loa Loa (eye worm) hypothetical protein 0.0062 0.0395 0.0752
Echinococcus granulosus ecdysone induced protein 78C 0.0117 0.1105 0.2587
Schistosoma mansoni integrin alpha-ps 0.0066 0.0452 0.1058
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0117 0.1105 0.2103
Schistosoma mansoni integrin beta subunit 0.0253 0.285 0.6674
Loa Loa (eye worm) DR-78 0.0055 0.0309 0.0589
Brugia malayi hypothetical protein 0.0228 0.2539 0.4835
Trypanosoma cruzi Heat shock protein 83, putative 0.0044 0.0169 0.1527
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0275 0.314 1
Schistosoma mansoni endoplasmin 0.0044 0.0169 0.0396
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0117 0.1105 0.2587
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.0951 0.2716
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0117 0.1105 0.2103
Brugia malayi Protein kinase domain containing protein 0.0031 0.000000023218 0.000000044216
Loa Loa (eye worm) hypothetical protein 0.0112 0.1037 0.1975
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Brugia malayi Nuclear hormone receptor E75 0.0055 0.0309 0.0589
Brugia malayi ecdysone receptor 0.0055 0.0309 0.0589
Schistosoma mansoni retinoic acid receptor RXR 0.0117 0.1105 0.2587
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0055 0.0309 0.0725
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0168 0.032
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Schistosoma mansoni high-affinity choline transporter 0.0363 0.427 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0275 0.314 1
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0134 0.1292
Loa Loa (eye worm) phosphofructokinase 0.0105 0.0951 0.181
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0062 0.0395 0.0924
Trypanosoma brucei heat shock protein 90, putative 0.0044 0.0169 0.0555
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Brugia malayi nuclear receptor RXR 0.0055 0.0309 0.0589
Schistosoma mansoni integrin alpha-ps 0.0034 0.0043 0.0101
Loa Loa (eye worm) hypothetical protein 0.0117 0.1105 0.2103
Trypanosoma brucei heat shock protein, putative 0.0044 0.0169 0.0555
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.2539 0.5945
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0275 0.314 1
Echinococcus multilocularis snurportin 1 0.0321 0.3736 0.8748
Entamoeba histolytica hypothetical protein 0.0315 0.3652 1
Brugia malayi nuclear hormone receptor 0.0055 0.0309 0.0589
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.0951 0.2226
Loa Loa (eye worm) hypothetical protein 0.0117 0.1105 0.2103
Schistosoma mansoni inositol transporter 0.004 0.0115 0.0269
Echinococcus granulosus sodium:myo inositol cotransporter 0.004 0.0115 0.0269
Onchocerca volvulus 0.0055 0.0309 0.2802
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0168 0.0394
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0275 0.314 1
Giardia lamblia Grp94/Hsp90 0.0042 0.0134 0.5748
Trypanosoma cruzi heat shock protein 90, putative 0.0044 0.0169 0.1527
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0168 0.032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0117 0.1105 0.2103
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.0951 0.2226
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0055 0.0309 0.0725
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0117 0.1105 0.2587
Brugia malayi ecdysteroid receptor 0.0117 0.1105 0.2103
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0117 0.1105 0.2103
Trypanosoma brucei heat shock protein, putative 0.0044 0.0169 0.0555
Schistosoma mansoni hypothetical protein 0.0315 0.3652 0.8553
Echinococcus granulosus integrin alpha ps 0.0066 0.0452 0.1058
Loa Loa (eye worm) hypothetical protein 0.0034 0.0043 0.0082
Brugia malayi MH2 domain containing protein 0.0115 0.1083 0.2063
Trypanosoma brucei heat shock protein, putative 0.0044 0.0169 0.0555
Echinococcus multilocularis integrin beta 2 0.0322 0.3737 0.8752
Brugia malayi hypothetical protein 0.0055 0.0309 0.0589
Schistosoma mansoni hypothetical protein 0.0164 0.1706 0.3994
Schistosoma mansoni steroid hormone receptor ad4bp 0.0117 0.1105 0.2587
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0117 0.1105 0.2587
Loa Loa (eye worm) integrin beta-2 0.0439 0.5251 1
Brugia malayi Sodium:solute symporter family protein 0.004 0.0115 0.0218
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0117 0.1105 0.2587
Brugia malayi Death domain containing protein 0.0031 0.000000023218 0.000000044216
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.004 0.0115 0.0269
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0117 0.1105 0.2587
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0117 0.1105 0.2103
Toxoplasma gondii heat shock protein HSP90 0.0044 0.0169 0.0141
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.0951 0.2716
Brugia malayi phosphofructokinase 0.0105 0.0951 0.181
Trypanosoma brucei heat shock protein 90, putative 0.0044 0.0169 0.0555
Brugia malayi translation initiation factor 4E 0.0033 0.0028 0.0054
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0219 0.0417
Loa Loa (eye worm) translation initiation factor 4E 0.0033 0.0028 0.0054
Loa Loa (eye worm) hypothetical protein 0.0117 0.1105 0.2103
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0033 0.0028 0.0066
Schistosoma mansoni nuclear receptor nhr-48 0.0055 0.0309 0.0725
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0275 0.314 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0275 0.314 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0062 0.0395 0.0924
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.0134 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0117 0.1105 0.2587
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.0134 0.1148
Schistosoma mansoni hypothetical protein 0.0047 0.0199 0.0466
Schistosoma mansoni zinc finger protein 0.0055 0.0309 0.0725
Mycobacterium leprae putative cytochrome p450 0.0275 0.314 1
Echinococcus granulosus geminin 0.0164 0.1706 0.3994
Brugia malayi 6-phosphofructokinase 0.0105 0.0951 0.181
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0275 0.314 1
Schistosoma mansoni heat shock protein 0.0044 0.0169 0.0396
Loa Loa (eye worm) hypothetical protein 0.0062 0.0395 0.0752
Onchocerca volvulus 0.0117 0.1105 1
Mycobacterium ulcerans oxidoreductase 0.0253 0.2855 0.9052
Brugia malayi hypothetical protein 0.0062 0.0395 0.0752
Trichomonas vaginalis heat shock protein, putative 0.0038 0.0087 0.0788
Loa Loa (eye worm) hypothetical protein 0.0117 0.1105 0.2103
Echinococcus granulosus Nuclear hormone receptor HR96 0.0055 0.0309 0.0725
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0062 0.0395 0.0752
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0117 0.1105 0.2587
Loa Loa (eye worm) hypothetical protein 0.0062 0.0395 0.0752
Echinococcus multilocularis high affinity choline transporter 1 0.0363 0.427 1
Schistosoma mansoni nuclear receptor 0.0055 0.0309 0.0725
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0275 0.314 1
Echinococcus granulosus integrin beta 2 0.0322 0.3737 0.8752
Brugia malayi hypothetical protein 0.0062 0.0395 0.0752
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0117 0.1105 0.2587
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0075 0.0567 0.144
Loa Loa (eye worm) hypothetical protein 0.0032 0.0008 0.0015
Entamoeba histolytica hypothetical protein 0.0315 0.3652 1
Schistosoma mansoni inositol transporter 0.004 0.0115 0.0269
Schistosoma mansoni ankyrin 23/unc44 0.0031 0.000000023218 0.000000054371
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0087 0.0635
Echinococcus multilocularis endoplasmin 0.0042 0.0134 0.0314
Plasmodium falciparum heat shock protein 90, putative 0.0168 0.1758 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0253 0.2855 0.9052
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0117 0.1105 0.2587
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0275 0.314 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0199 0.0466
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.0951 0.2226
Brugia malayi hypothetical protein 0.0069 0.0487 0.0927
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0117 0.1105 0.2103
Toxoplasma gondii heat shock protein 90, putative 0.0044 0.0169 0.0141
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0315 0.3652 0.8553
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.2539 0.5945
Echinococcus granulosus high affinity choline transporter 1 0.0363 0.427 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Schistosoma mansoni hypothetical protein 0.0033 0.0023 0.0054
Schistosoma mansoni heat shock protein 0.0044 0.0169 0.0396
Brugia malayi nuclear receptor NHR-67 0.0055 0.0309 0.0589
Echinococcus granulosus snurportin 1 0.0321 0.3736 0.8748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0117 0.1105 0.2103
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0117 0.1105 0.2587
Onchocerca volvulus Protein ultraspiracle homolog 0.0117 0.1105 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0159 0.1651 0.3866
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0275 0.314 1
Echinococcus granulosus integrin alpha ps 0.0032 0.0008 0.0019
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0031 0.000000023218 0.000000054371
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0075 0.0567 0.144
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0117 0.1105 0.2587
Schistosoma mansoni transcription factor LCR-F1 0.0315 0.3652 0.8553
Echinococcus multilocularis heat shock protein 90 0.0044 0.0169 0.0396
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0134 0.1292
Brugia malayi nuclear hormone receptor 0.0117 0.1105 0.2103
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0117 0.1105 0.2103
Echinococcus granulosus heat shock protein 90 0.0044 0.0169 0.0396
Brugia malayi conserved hypotetical protein 0.0055 0.0309 0.0589
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0033 0.0028 0.0163
Onchocerca volvulus 0.004 0.0115 0.1039
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0055 0.0309 0.0725
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0055 0.0309 0.0725
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0275 0.314 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.1105 0.2103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0168 0.0394
Echinococcus granulosus sodium:glucose cotransporter 2 0.004 0.0115 0.0269
Brugia malayi Nuclear hormone receptor-like 1 0.0062 0.0395 0.0752
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.0951 0.2545
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0055 0.0309 0.0725
Echinococcus multilocularis sodium:glucose cotransporter 2 0.004 0.0115 0.0269
Echinococcus granulosus nuclear factor of activated T cells 5 0.0159 0.1651 0.3866
Trypanosoma brucei heat shock protein, putative 0.0044 0.0169 0.0555
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0055 0.0309 0.0725
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0075 0.0567 0.144
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.004 0.0115 0.0269
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0275 0.314 1
Trichomonas vaginalis heat shock protein, putative 0.0044 0.0169 0.1666
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.0951 0.3637
Plasmodium vivax heat shock protein, putative 0.0168 0.1758 1
Schistosoma mansoni integrin alpha 0.0066 0.0452 0.1058
Mycobacterium ulcerans two component transcriptional regulator 0.0075 0.0567 0.144
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0062 0.0395 0.0924
Brugia malayi hypothetical protein 0.0315 0.3652 0.6955
Loa Loa (eye worm) nuclear receptor NHR-67 0.0055 0.0309 0.0589
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0117 0.1105 0.2103
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0275 0.314 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0117 0.1105 0.2103
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0117 0.1105 0.2587
Giardia lamblia Heat shock protein HSP 90-alpha 0.0044 0.0169 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0275 0.314 1
Leishmania major heat shock protein 83-1 0.0044 0.0169 0.1527
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0199 0.0379
Trypanosoma brucei heat shock protein, putative 0.0044 0.0169 0.0555
Entamoeba histolytica hypothetical protein 0.0315 0.3652 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0055 0.0309 0.0725
Echinococcus multilocularis FTZ F1 alpha 0.0117 0.1105 0.2587
Brugia malayi nuclear hormone receptor family member odr-7 0.0055 0.0309 0.0589
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1083 0.2063
Entamoeba histolytica heat shock protein 90, putative 0.0044 0.0169 0.0389
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0055 0.0309 0.2802
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0033 0.0028 0.0163
Schistosoma mansoni hypothetical protein 0.0164 0.1706 0.3994
Echinococcus multilocularis Ankyrin 0.0031 0.0003 0.0008
Onchocerca volvulus 0.0055 0.0309 0.2802
Echinococcus granulosus endoplasmin 0.0042 0.0134 0.0314
Loa Loa (eye worm) nuclear hormone receptor 0.0055 0.0309 0.0589
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0117 0.1105 0.2103
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0031 0.000000023218 0.000000054371
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0055 0.0309 0.2802
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0069 0.0487 0.0927
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0169 0.1527
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0117 0.1105 0.2587
Trypanosoma brucei heat shock protein, putative 0.0044 0.0169 0.0555
Schistosoma mansoni sodium/solute symporter 0.004 0.0115 0.0269
Schistosoma mansoni endoplasmin 0.0044 0.0169 0.0396
Echinococcus multilocularis integrin alpha ps 0.0032 0.0008 0.0019
Echinococcus multilocularis integrin alpha ps 0.0066 0.0452 0.1058
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0075 0.0567 0.144
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0087 0.0635
Loa Loa (eye worm) hypothetical protein 0.0055 0.0309 0.0589
Loa Loa (eye worm) hypothetical protein 0.0062 0.0395 0.0752
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0117 0.1105 0.2103
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0321 0.3736 0.7114
Echinococcus granulosus Ankyrin 0.0031 0.0003 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0117 0.1105 0.2103
Brugia malayi nuclear receptor NHR-88 0.0117 0.1105 0.2103
Echinococcus multilocularis ecdysone induced protein 78C 0.0117 0.1105 0.2587
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.0951 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0168 0.0394
Loa Loa (eye worm) steroid hormone receptor 0.0117 0.1105 0.2103

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.05 uM In vitro inhibition of recombinant ICAM-1 binding to purified immobilized LFA-1 using cell-free assay ChEMBL. 15109637
IC50 (functional) = 0.05 uM In vitro inhibition of recombinant ICAM-1 binding to purified immobilized LFA-1 using cell-free assay ChEMBL. 15109637
IC50 (functional) = 0.12 uM Inhibition of HUT78 cell adhesion to immobilized ICAM-1 protein ChEMBL. 15109637
IC50 (functional) = 0.12 uM Inhibition of HUT78 cell adhesion to immobilized ICAM-1 protein ChEMBL. 15109637
Inhibition (functional) = 46 % Anti-inflammatory activity against murine model of allergic contact dermatitis (mACD) after single oral administration of the compound (1 mg/kg) (in vivo) ChEMBL. 15109637
Inhibition (functional) = 46 % Anti-inflammatory activity against murine model of allergic contact dermatitis (mACD) after single oral administration of the compound (1 mg/kg) (in vivo) ChEMBL. 15109637
Inhibition (functional) = 168.6 % Anti-inflammatory activity against murine model of allergic contact dermatitis (mACD) after single oral administration of the compound (0.1 mg/kg) (in vivo) ChEMBL. 15109637
Inhibition (functional) = 168.6 % Anti-inflammatory activity against murine model of allergic contact dermatitis (mACD) after single oral administration of the compound (0.1 mg/kg) (in vivo) ChEMBL. 15109637

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

1 literature reference was collected for this gene.

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