Detailed information for compound 1185208

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.511 | Formula: C23H33NO6
  • H donors: 3 H acceptors: 6 LogP: 3.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1C=C[C@H]2[C@H]([C@@H]1/C(=C\1/C(=O)[C@@H](N(C1=O)C)C[C@@](C(=O)O)(C(C)C)O)/O)CCCC2
  • InChi: 1S/C23H33NO6/c1-12(2)23(30,22(28)29)11-16-19(25)18(21(27)24(16)4)20(26)17-13(3)9-10-14-7-5-6-8-15(14)17/h9-10,12-17,26,30H,5-8,11H2,1-4H3,(H,28,29)/b20-18+/t13-,14+,15-,16+,17-,23+/m1/s1
  • InChiKey: DIFKWHRMEGFLSD-DBEUHZBBSA-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 proteasome (prosome, macropain) assembly chaperone 1 References
Homo sapiens proteasome (prosome, macropain) assembly chaperone 2 References
Homo sapiens proteasome (prosome, macropain) assembly chaperone 3 Starlite/ChEMBL References
Homo sapiens transcription factor 7 (T-cell specific, HMG-box) References
Homo sapiens catenin (cadherin-associated protein), beta 1, 88kDa References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus proteasome assembly chaperone 2 Get druggable targets OG5_130733 All targets in OG5_130733
Echinococcus multilocularis protein pangolin J Get druggable targets OG5_149267 All targets in OG5_149267
Candida albicans weak similarity to mouse CLAST3 cell cycle-regulated gene and to YKL206c. Get druggable targets OG5_130733 All targets in OG5_130733
Onchocerca volvulus Cirhin homolog Get druggable targets OG5_130404 All targets in OG5_130404
Schistosoma japonicum ko:K02105 catenin (cadherin-associated protein), beta 1, putative Get druggable targets OG5_130404 All targets in OG5_130404
Trichomonas vaginalis hypothetical protein Get druggable targets OG5_130733 All targets in OG5_130733
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130733 All targets in OG5_130733
Echinococcus multilocularis proteasome assembly chaperone 2 Get druggable targets OG5_130733 All targets in OG5_130733
Schistosoma mansoni beta-catenin Get druggable targets OG5_130404 All targets in OG5_130404
Echinococcus multilocularis beta catenin Get druggable targets OG5_130404 All targets in OG5_130404
Loa Loa (eye worm) HMP-2 protein Get druggable targets OG5_130404 All targets in OG5_130404
Brugia malayi Armadillo/beta-catenin-like repeat family protein Get druggable targets OG5_130404 All targets in OG5_130404
Schistosoma japonicum Catenin beta-1, putative Get druggable targets OG5_130404 All targets in OG5_130404
Echinococcus granulosus beta catenin Get druggable targets OG5_130404 All targets in OG5_130404
Schistosoma japonicum expressed protein Get druggable targets OG5_130404 All targets in OG5_130404
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_136846 All targets in OG5_136846
Entamoeba histolytica hypothetical protein Get druggable targets OG5_130733 All targets in OG5_130733
Echinococcus granulosus protein pangolin J Get druggable targets OG5_149267 All targets in OG5_149267
Candida albicans weak similarity to mouse CLAST3 cell cycle-regulated gene and to YKL206c. Get druggable targets OG5_130733 All targets in OG5_130733
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) nuclear hormone receptor-like 1 0.0006 0.0015 0.0054
Schistosoma mansoni beta-catenin 0.0116 0.1097 0.2759
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0032 0.0021
Mycobacterium tuberculosis Conserved protein 0.0077 0.0716 0.1456
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0032 0.0208
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0032 0.0057
Loa Loa (eye worm) HMP-2 protein 0.0116 0.1097 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0151 0.1147
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0143 0.1624
Mycobacterium tuberculosis Probable lipase LipE 0.0077 0.0716 0.1456
Mycobacterium tuberculosis Conserved alanine and leucine rich protein 0.0062 0.0568 0.1145
Schistosoma mansoni hypothetical protein 0.0183 0.1757 0.4417
Schistosoma mansoni ap endonuclease 0.0019 0.0151 0.038
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0064 0.0161
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0032 0.0023
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0151 0.1151
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0064 0.0445
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0032 0.0187
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0064 0.0055
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0064 0.0161
Brugia malayi beta-lactamase family protein 0.0077 0.0716 0.5697
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0032 0.0208
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0064 0.0055
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0151 0.1748
Toxoplasma gondii exonuclease III APE 0.0019 0.0151 0.0982
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0414 0.3262
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.003 0.0021
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0151 0.1748
Mycobacterium leprae conserved hypothetical protein 0.0077 0.0716 1
Mycobacterium ulcerans hypothetical protein 0.0077 0.0716 1
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0716 0.3693
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0032 0.0187
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0151 0.0681
Onchocerca volvulus Cirhin homolog 0.0115 0.109 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0716 0.6501
Loa Loa (eye worm) hypothetical protein 0.0007 0.0032 0.0208
Schistosoma mansoni ap endonuclease 0.0019 0.0151 0.038
Onchocerca volvulus 0.0077 0.0716 0.6546
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0205 0.1577
Loa Loa (eye worm) hypothetical protein 0.0025 0.0205 0.1799
Echinococcus granulosus hypothetical protein 0.0281 0.2729 0.2723
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0151 0.0681
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0064 0.0445
Echinococcus multilocularis dnaJ subfamily B 0.0408 0.3978 1
Schistosoma mansoni nuclear receptor 0.0005 0.0009 0.0022
Schistosoma mansoni hypothetical protein 0.0323 0.314 0.7895
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0064 0.0139
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0151 0.1151
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0064 0.0511
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0032 0.0329
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0009 0.0022
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0077 0.0716 0.5697
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0015 0.0006
Schistosoma mansoni cpg binding protein 0.003 0.0258 0.0648
Echinococcus granulosus geminin 0.0183 0.1757 0.1749
Onchocerca volvulus 0.0007 0.0032 0.021
Onchocerca volvulus 0.0077 0.0716 0.6546
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0064 0.0055
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0064 0.0507
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.123
Echinococcus granulosus beta catenin 0.0116 0.1097 0.1089
Mycobacterium tuberculosis Probable esterase LipL 0.0077 0.0716 0.1456
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0032 0.0021
Onchocerca volvulus 0.0025 0.0205 0.1812
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0205 0.2528
Toxoplasma gondii hypothetical protein 0.0131 0.1251 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0064 0.0139
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.003 0.0052
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0064 0.0055
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0151 0.1748
Schistosoma mansoni zinc finger protein 0.0005 0.0009 0.0022
Schistosoma mansoni hypothetical protein 0.0197 0.19 0.4777
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0064 0.0445
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0133 0.0233
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0133 0.0233
Loa Loa (eye worm) beta-lactamase 0.0077 0.0716 0.6501
Mycobacterium leprae conserved hypothetical protein 0.0062 0.0568 0.7836
Echinococcus multilocularis expressed conserved protein 0.0323 0.314 0.789
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0032 0.0079
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0205 0.2528
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0032 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0064 0.0445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0064 0.0507
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0205 0.2774
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0143 0.0254
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0064 0.0511
Schistosoma mansoni cpg binding protein 0.003 0.0258 0.0648
Echinococcus multilocularis beta catenin 0.0116 0.1097 0.2743
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0151 0.0359
Brugia malayi hypothetical protein 0.0006 0.0015 0.0048
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0507
Brugia malayi steroid hormone receptor 0.0011 0.0064 0.0445
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0064 0.0445
Echinococcus granulosus cpg binding protein 0.003 0.0258 0.0249
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0077 0.0716 0.1456
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0077 0.0716 0.6501
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0151 0.5
Schistosoma mansoni hypothetical protein 0.0062 0.0568 0.1429
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0009 0.0022
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0716 0.3693
Mycobacterium tuberculosis Conserved hypothetical protein 0.0062 0.0568 0.1145
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0054
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0054
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0064 0.0161
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0205 0.2774
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0064 0.0445
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0205 0.2774
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0032 0.0021
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0009 0.0022
Brugia malayi beta-lactamase family protein 0.0077 0.0716 0.5697
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.003 0.0052
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0143 0.9289
Mycobacterium ulcerans hypothetical protein 0.0062 0.0568 0.7836
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0064 0.0507
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0032 0.0021
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0077 0.0716 0.1456
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0716 0.3693
Entamoeba histolytica hypothetical protein 0.0197 0.19 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0032 0.0183
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0205 0.2528
Mycobacterium ulcerans lipase LipD 0.0077 0.0716 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0716 0.6501
Mycobacterium tuberculosis Probable lipase LipD 0.0077 0.0716 0.1456
Mycobacterium tuberculosis Conserved protein 0.0077 0.0716 0.1456
Schistosoma mansoni cpg binding protein 0.0029 0.0242 0.0608
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0009 0.0022
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0507
Loa Loa (eye worm) hypothetical protein 0.0025 0.0205 0.1799
Mycobacterium ulcerans hypothetical protein 0.0062 0.0568 0.7836
Echinococcus multilocularis expressed conserved protein 0.0131 0.1251 0.3129
Loa Loa (eye worm) hypothetical protein 0.0025 0.0205 0.1799
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0032 0.0187
Mycobacterium ulcerans hypothetical protein 0.0025 0.0205 0.2528
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0205 0.2528
Onchocerca volvulus 0.0007 0.0032 0.021
Mycobacterium leprae conserved hypothetical protein 0.0062 0.0568 0.7836
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0064 0.0507
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0205 0.0927
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0032 0.0183
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0032 0.0021
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0133 0.0233
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0064 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0064 0.0445
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0064 0.0445
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0151 0.0272
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0015 0.0037
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0507
Brugia malayi nuclear receptor RXR 0.0006 0.0015 0.0048
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0064 0.0139
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0064 0.0139
Onchocerca volvulus 0.0007 0.0032 0.021
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.0716 1
Onchocerca volvulus 0.0077 0.0716 0.6546
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0151 0.5
Mycobacterium ulcerans beta-lactamase 0.0077 0.0716 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0064 0.0507
Echinococcus granulosus expressed conserved protein 0.0131 0.1251 0.1243
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0716 0.5699
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0064 0.0445
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0032 0.0021
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0064 0.0055
Schistosoma mansoni coup transcription factor 0.0011 0.0064 0.0161
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0046 0.0297
Onchocerca volvulus 0.0007 0.0032 0.021
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0009 0.0022
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0414 0.3722
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0143 0.1624
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0064 0.0445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0064 0.0507
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0047 0.0096
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0064 0.0161
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0205 0.1577
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0064 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0064 0.0445
Trichomonas vaginalis esterase, putative 0.0077 0.0716 0.3693
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0015 0.0037
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0064 0.0161
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0064 0.0139
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0015 0.0048
Onchocerca volvulus 0.0011 0.0064 0.0511
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0205 0.0927
Brugia malayi ecdysteroid receptor 0.0011 0.0064 0.0445
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0205 0.0384
Trypanosoma cruzi hypothetical protein, conserved 0.0131 0.1251 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0716 0.6501
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0151 0.0641
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0414 0.1041
Echinococcus multilocularis geminin 0.0183 0.1757 0.4404
Schistosoma mansoni hypothetical protein 0.0281 0.2729 0.6862
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0558 0.1403
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0064 0.0139
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0507
Echinococcus multilocularis cpg binding protein 0.003 0.0258 0.0627
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0064 0.0445
Mycobacterium tuberculosis Probable hydrolase 0.0077 0.0716 0.1456
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0242 0.2139
Brugia malayi hypothetical protein 0.0131 0.1251 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.123
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.003 0.0074
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0032 0.0043
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0205 0.2528
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0032 0.0183
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0064 0.0055
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0047 0.0038
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0151 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.123
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0064 0.0445
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0032 0.0021
Leishmania major hypothetical protein, conserved 0.0077 0.0716 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0064 0.0445
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0205 0.0927
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0507
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0151 0.1308
Toxoplasma gondii ABC1 family protein 0.0077 0.0716 0.5617
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0151 0.0143
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0064 0.0161
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0491 0.4795 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0064 0.0139
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0716 0.3693
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0032 0.0183
Loa Loa (eye worm) oxidoreductase 0.0007 0.0032 0.0208
Echinococcus granulosus protein pangolin J 0.0286 0.2774 0.2767
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0716 0.1801
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0064 0.0161
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0494 0.3793
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0015 0.0048
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.123
Brugia malayi Armadillo/beta-catenin-like repeat family protein 0.0116 0.1097 0.8764
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0064 0.0055
Loa Loa (eye worm) hypothetical protein 0.0019 0.0143 0.123
Brugia malayi nuclear hormone receptor 0.0011 0.0064 0.0445
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0205 0.0384
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0032 0.0183
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0032 0.0021
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0047 0.0349
Brugia malayi nuclear receptor NHR-88 0.0011 0.0064 0.0445
Loa Loa (eye worm) hypothetical protein 0.0007 0.0032 0.0208
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0716 0.1801
Loa Loa (eye worm) hypothetical protein 0.0077 0.0716 0.6501
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0032 0.0043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0064 0.0507
Schistosoma mansoni nuclear receptor 0.0005 0.0009 0.0022
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0032 0.0021
Echinococcus multilocularis beta LACTamase domain containing family member 0.0077 0.0716 0.1783
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0064 0.0161
Schistosoma mansoni hypothetical protein 0.0408 0.3978 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.003 0.0021
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0032 0.0021
Loa Loa (eye worm) hypothetical protein 0.0077 0.0716 0.6501
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0414 0.1021
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0064 0.0161
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0064 0.0161
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0064 0.0507
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0015 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0414 0.1041
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0064 0.0055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0414 0.1041
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0716 0.5699
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0414 0.0405
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0151 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0205 0.2528
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0414 0.1021
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0205 0.2528
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0064 0.0055
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0077 0.0716 0.1456
Loa Loa (eye worm) hypothetical protein 0.0077 0.0716 0.6501
Echinococcus multilocularis proteasome assembly chaperone 2 0.0197 0.19 0.4765
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0716 0.3693
Echinococcus multilocularis protein pangolin J 0.0286 0.2774 0.6967
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0414 0.0405
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0507
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0054
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0064 0.0445
Brugia malayi hypothetical protein 0.0006 0.0015 0.0048
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0064 0.0511
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0064 0.0139
Trichomonas vaginalis hypothetical protein 0.0197 0.19 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0507
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0054
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0032 0.0329
Mycobacterium tuberculosis Conserved protein 0.0077 0.0716 0.1456
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0032 0.0021
Brugia malayi beta-lactamase 0.0077 0.0716 0.5697
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0064 0.0161
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0507
Mycobacterium leprae Probable lipase LipE 0.0077 0.0716 1
Echinococcus granulosus dnaJ subfamily B 0.0408 0.3978 0.3972
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0151 0.2019
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0205 0.1577
Onchocerca volvulus 0.0029 0.0242 0.2154
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0133 0.0233
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0054
Mycobacterium ulcerans esterase/lipase LipP 0.0077 0.0716 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0205 0.2528
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0205 0.2528
Schistosoma mansoni hypothetical protein 0.0183 0.1757 0.4417
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0032 0.0187
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0064 0.0445
Echinococcus granulosus beta LACTamase domain containing family member 0.0077 0.0716 0.0708
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0077 0.0716 1
Echinococcus granulosus proteasome assembly chaperone 2 0.0197 0.19 0.1893
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0143 0.5
Brugia malayi CXXC zinc finger family protein 0.0029 0.0242 0.1875
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0716 1
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0032 0.0329

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.2 uM Inhibition of PAC3 homodimerization by protein fragment complementation assay ChEMBL. 20180542
IC50 (binding) = 6 uM Inhibition of T cell factor7/beta casein interaction by protein fragment complementation assay ChEMBL. 20180542
IC50 (binding) = 6 uM Inhibition of PAC1/PAC2 interaction by protein fragment complementation assay ChEMBL. 20180542
IC50 (functional) = 68 uM Cytotoxicity against human HeLa cells after 120 hrs by WST8 assay ChEMBL. 20180542

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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