Detailed information for compound 1643447

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 573.721 | Formula: C33H36FN3O3S
  • H donors: 2 H acceptors: 5 LogP: 5.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@H]1C[C@@]2(C)[C@H]([C@H]3[C@H]1[C@@]1(C)Cc4cnn(c4C=C1CC3)c1ccc(cc1)F)CC[C@]2(O)C(=O)CSc1ccccn1
  • InChi: 1S/C33H36FN3O3S/c1-31-16-20-18-36-37(23-9-7-22(34)8-10-23)26(20)15-21(31)6-11-24-25-12-13-33(40,32(25,2)17-27(38)30(24)31)28(39)19-41-29-5-3-4-14-35-29/h3-5,7-10,14-15,18,24-25,27,30,38,40H,6,11-13,16-17,19H2,1-2H3/t24-,25-,27-,30+,31-,32-,33-/m0/s1
  • InChiKey: VHDHLKDTQMLQSR-YBWODQSBSA-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 nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor) Starlite/ChEMBL References
Rattus norvegicus Glucocorticoid receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.0006 0.0004
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0343 0.0338 0.0326
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0343 0.0338 0.0332
Schistosoma mansoni hypothetical protein 0.0054 0.0043 0.0041
Trypanosoma brucei acetyl-CoA carboxylase 0.9782 1 1
Brugia malayi MH2 domain containing protein 0.0138 0.0129 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0011 0.3058
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0172 0.0163 0.0163
Echinococcus granulosus Biotin lipoyl attachment 0.0343 0.0338 0.0332
Entamoeba histolytica hypothetical protein 0.0027 0.0016 0.0015
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1326 0.1344 0.1333
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0343 0.0338 0.0527
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.9782 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.3726 0.3801 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.7079 0.7233 1
Loa Loa (eye worm) hypothetical protein 0.0343 0.0338 0.0344
Schistosoma mansoni hypothetical protein 0.1426 0.1447 0.1445
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0343 0.0338 0.0326
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0886 0.0894 0.0888
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0043 0.0037
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0011 0.3058
Plasmodium falciparum importin beta, putative 0.0034 0.0022 0.0013
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0172 0.0163 0.0163
Echinococcus granulosus cpg binding protein 0.0106 0.0096 0.009
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.0006 0.0004
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1326 0.1344 0.1333
Schistosoma mansoni ran 0.0025 0.0013 0.0011
Brugia malayi Calcitonin receptor-like protein seb-1 0.0172 0.0163 0.0163
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0031 0.0019 0.0013
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.3726 0.3801 1
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0343 0.0338 0.0451
Schistosoma mansoni hypothetical protein 0.0054 0.0043 0.0041
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.1326 0.1344 0.2905
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0011 0.3058
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.0095 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0011 0.3058
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0025 0.0013 0.0011
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0025 0.0013 0.0007
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0013 0.0007
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0343 0.0338 0.0344
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0016 0.0004
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3726 0.3801 0.6137
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0016 0.4411
Loa Loa (eye worm) hypothetical protein 0.0034 0.0022 0.0016
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.1326 0.1344 0.2905
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.0095 0.0093
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3726 0.3801 0.3793
Schistosoma mansoni pyruvate carboxylase 0.3726 0.3801 0.38
Brugia malayi F/Y-rich N-terminus family protein 0.0031 0.0019 0.0013
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0343 0.0338 0.0326
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0343 0.0338 0.0451
Leishmania major acetyl-CoA carboxylase, putative 0.9782 1 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1326 0.1344 0.2157
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0035 0.0022
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3726 0.3801 0.6137
Schistosoma mansoni cpg binding protein 0.0106 0.0096 0.0094
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0343 0.0338 0.0332
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.0011 0.3058
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0013 0.0007
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0343 0.0338 0.0344
Schistosoma mansoni cpg binding protein 0.0106 0.0096 0.0094
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.3726 0.3801 0.3797
Schistosoma mansoni ran 0.0025 0.0013 0.0011
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.0145 0.0139
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.0006 0.0004
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0043 0.0037
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0035 0.0029
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0343 0.0338 0.0527
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0031 0.0025
Loa Loa (eye worm) hypothetical protein 0.0054 0.0043 0.0038
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.3726 0.3801 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1326 0.1344 0.2157
Schistosoma mansoni hypothetical protein 0.036 0.0356 0.0354
Loa Loa (eye worm) acetyltransferase 0.0158 0.015 0.0149
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.0095 0.0089
Loa Loa (eye worm) histone methyltransferase 0.0031 0.0019 0.0013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0006 0.0004
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.036 0.0356 0.0363
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0343 0.0338 0.0326
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0343 0.0338 0.0344
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0343 0.0338 0.0336
Trypanosoma brucei unspecified product 0.245 0.2495 0.2485
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0343 0.0338 0.0332
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0842 0.085 0.1159
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0343 0.0338 0.0326
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.1326 0.1344 0.2905
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0842 0.085 0.1476
Brugia malayi RNA, U transporter 1 0.0096 0.0086 0.0082
Toxoplasma gondii histone lysine methyltransferase SET1 0.0194 0.0186 0.0173
Schistosoma mansoni importin beta-1 0.0034 0.0022 0.002
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.7079 0.7233 1
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0011 0.3058
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0013 0.0007
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0842 0.085 0.0847
Echinococcus granulosus importin subunit beta 1 0.0034 0.0022 0.0016
Echinococcus granulosus mixed lineage leukemia protein mll 0.0025 0.0013 0.0007
Toxoplasma gondii pyruvate carboxylase 0.3726 0.3801 0.3793
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.0006 0.0004
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0035 0.0022
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.9782 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.0006 0.0004
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.0043 0.0037
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0343 0.0338 0.0451
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0025 0.0013 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0011 0.3058
Trichomonas vaginalis helicase, putative 0.0023 0.0011 0.3058
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0343 0.0338 0.0336
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.1326 0.1344 0.2905
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3726 0.3801 0.38
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0343 0.0338 0.0326
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.1326 0.1344 0.2905
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0343 0.0338 0.0451
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0011 0.3058
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0105 0.0095 0.0092
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0031 0.0109
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.0006 0.0004
Leishmania major propionyl-coa carboxylase beta chain, putative 0.1326 0.1344 0.1333
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1668 0.1695 1
Echinococcus multilocularis snurportin 1 0.036 0.0356 0.035
Echinococcus granulosus GPCR family 2 0.0054 0.0043 0.0037
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0129 0.0127
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.3726 0.3801 1
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0343 0.0338 0.0326
Loa Loa (eye worm) CXXC zinc finger family protein 0.01 0.009 0.0087
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0035 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0016 0.4411
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0011 0.3058
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0011 0.3058
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.9782 1 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0013 0.0007
Loa Loa (eye worm) hypothetical protein 0.0117 0.0108 0.0105
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0011 0.3058
Schistosoma mansoni coup transcription factor 0.0018 0.0006 0.0004
Brugia malayi CXXC zinc finger family protein 0.01 0.009 0.0087
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0343 0.0338 0.0326
Schistosoma mansoni hypothetical protein 0.0117 0.0108 0.0105
Loa Loa (eye worm) hypothetical protein 0.0343 0.0338 0.0344
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.1326 0.1344 0.2905
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0343 0.0338 0.0451
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 0.015 0.0143
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0343 0.0338 0.0326
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0022 0.0009
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.1326 0.1344 0.2905
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0212 0.0205 0.0203
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.1326 0.1344 0.2905
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0043 0.0037
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0006 0.0004
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0025 0.0013 0.0007
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0343 0.0338 0.0326
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0011 0.3058
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0011 0.3058
Leishmania major carboxylase, putative 0.3726 0.3801 0.3793
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0343 0.0338 0.0332
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.0006 0.0004
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0129 0.0127
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.0043 0.0038
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0343 0.0338 0.0527
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0343 0.0338 0.0527
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.1326 0.1344 0.2905
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0035 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0022 0.0009
Mycobacterium ulcerans pyruvate carboxylase 0.3726 0.3801 1
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0343 0.0338 0.0527
Echinococcus multilocularis cpg binding protein 0.0106 0.0096 0.009
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.0043 0.0038
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1668 0.1695 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.3726 0.3801 0.3797
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.3726 0.3801 1
Trichomonas vaginalis ran, putative 0.0025 0.0013 0.3676
Schistosoma mansoni hypothetical protein 0.0196 0.0188 0.0186
Brugia malayi Latrophilin receptor protein 2 0.0054 0.0043 0.0038
Schistosoma mansoni aspartate carbamoyltransferase 0.0842 0.085 0.0847
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.1326 0.1344 0.2905
Loa Loa (eye worm) hypothetical protein 0.0172 0.0163 0.0163
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0343 0.0338 0.0336
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.9439 0.9649 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.1326 0.1344 0.1339
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0006 0.0004
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3726 0.3801 0.38
Echinococcus multilocularis Biotin lipoyl attachment 0.0343 0.0338 0.0332
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0842 0.085 0.1476
Schistosoma mansoni acetyl-CoA carboxylase 0.9782 1 1
Schistosoma mansoni cpg binding protein 0.01 0.009 0.0088
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0842 0.085 0.0847
Echinococcus granulosus snurportin 1 0.036 0.0356 0.035
Brugia malayi Carboxyl transferase domain containing protein 0.9439 0.9649 1
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0031 0.0109
Plasmodium vivax importin-beta 2, putative 0.0034 0.0022 0.0013
Onchocerca volvulus 0.01 0.009 1
Brugia malayi Importin beta-1 subunit 0.0034 0.0022 0.0016
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0011 0.3058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.0095 0.0089
Echinococcus multilocularis dnaJ subfamily B 0.1426 0.1447 0.1442
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0022 0.0009
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0842 0.085 0.1355
Schistosoma mansoni hypothetical protein 0.0054 0.0043 0.0041
Chlamydia trachomatis biotin carboxylase 0.3383 0.3451 1
Plasmodium falciparum carbamoyl phosphate synthetase 0.0842 0.085 0.1159
Echinococcus granulosus geminin 0.0196 0.0188 0.0182
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.3726 0.3801 0.3793
Schistosoma mansoni hypothetical protein 0.0054 0.0043 0.0041
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0343 0.0338 0.0326
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 0.015 0.0147
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0105 0.0095 0.0092
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0031 0.0019 0.0013
Trypanosoma cruzi acetyl-CoA carboxylase 0.6056 0.6186 1
Echinococcus granulosus dnaJ subfamily B 0.1426 0.1447 0.1442
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.0095 0.0093
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.1326 0.1344 0.2157
Leishmania major carbamoyl-phosphate synthase, putative 0.0842 0.085 0.0838
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0011 0.3058
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.1326 0.1344 0.3233
Toxoplasma gondii carbamoylphosphate synthetase 0.0842 0.085 0.0838
Echinococcus multilocularis GPCR, family 2 0.0054 0.0043 0.0037
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0016 0.4411
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.0006 0.0004
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.1326 0.1344 0.1339
Loa Loa (eye worm) hypothetical protein 0.0343 0.0338 0.0344
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.0011 0.3058
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.1326 0.1344 0.1333
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.1326 0.1344 0.2905
Schistosoma mansoni hypothetical protein 0.0196 0.0188 0.0186
Brugia malayi acetyltransferase, GNAT family protein 0.0158 0.015 0.0149
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0343 0.0338 0.0326
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.0095 0.0093
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0343 0.0338 0.0336
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0842 0.085 0.0838
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0343 0.0338 0.0527
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3726 0.3801 0.3793
Echinococcus multilocularis geminin 0.0196 0.0188 0.0182
Treponema pallidum pyruvate carboxylase subunit B 0.0343 0.0338 0.5
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.3726 0.3801 1
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0022 0.0016
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0343 0.0338 0.0326
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0035 0.0031
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.1326 0.1344 0.2905
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0842 0.085 0.1355
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.1326 0.1344 0.1342
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0343 0.0338 0.0527
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.0095 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0011 0.3058
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.0108 0.0105
Leishmania major importin beta-1 subunit, putative 0.0027 0.0016 0.0003
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.3726 0.3801 1
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0006 0.0004

Activities

Activity type Activity value Assay description Source Reference
Efficacy (binding) = 99 % Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-induced IL8 production relative to control ChEMBL. 22465636
Efficacy (ADMET) = 111 % Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosine aminotransferase relative to control ChEMBL. 22465636
Efficacy (ADMET) = 116 % Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosine aminotransferase relative to control ChEMBL. 22465636
IC50 (binding) = 0.5 nM Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-induced IL8 production ChEMBL. 22465636
IC50 (ADMET) = 4.5 nM Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosine aminotransferase ChEMBL. 22465636
IC50 (ADMET) = 4.7 nM Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosine aminotransferase ChEMBL. 22465636

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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