Detailed information for compound 1130361

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 438.91 | Formula: C22H23ClN6O2
  • H donors: 0 H acceptors: 4 LogP: 2.68 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)N1Cc2cc(Cl)ccc2n2c(C1)nnc2C1CCN(CC1)c1ccccn1
  • InChi: 1S/C22H23ClN6O2/c1-31-22(30)28-13-16-12-17(23)5-6-18(16)29-20(14-28)25-26-21(29)15-7-10-27(11-8-15)19-4-2-3-9-24-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
  • InChiKey: BKJSIODGIVFGTL-UHFFFAOYSA-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 arginine vasopressin receptor 2 Starlite/ChEMBL References
Homo sapiens arginine vasopressin receptor 1A 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
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0136 0.0256
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0765 0.1435
Loa Loa (eye worm) hypothetical protein 0.0011 0.0089 0.0106
Loa Loa (eye worm) beta-lactamase 0.004 0.0765 0.1566
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0258 0.5759 1
Plasmodium vivax hypothetical protein, conserved 0.004 0.0765 1
Mycobacterium leprae Probable lipase LipE 0.004 0.0765 1
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1401 0.1366
Mycobacterium tuberculosis Conserved protein 0.004 0.0765 0.1262
Onchocerca volvulus 0.017 0.3728 0.694
Echinococcus granulosus muscleblind protein 0.0162 0.3549 0.3523
Schistosoma mansoni ferritin light chain 0.0009 0.0044 0.0003
Loa Loa (eye worm) hypothetical protein 0.004 0.0765 0.1566
Mycobacterium tuberculosis Conserved protein 0.004 0.0765 0.1262
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1401 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0089 0.0049
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0089 0.0049
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0089 0.0049
Trypanosoma brucei glucosidase, putative 0.0035 0.0639 0.7959
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0157 0.3445 0.7358
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0089 0.0106
Echinococcus granulosus geminin 0.017 0.3734 0.3708
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0041 0.0001
Brugia malayi Glycosyl hydrolases family 31 protein 0.0157 0.3445 0.7358
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0136 0.0256
Echinococcus multilocularis dnaJ subfamily B 0.0443 1 1
Mycobacterium ulcerans hypothetical protein 0.004 0.0765 0.5313
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0765 0.9963
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0765 0.1435
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0082 0.0089
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0639 0.1198
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0089 0.0049
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0639 0.1198
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0089 0.0049
Loa Loa (eye worm) hypothetical protein 0.0011 0.0089 0.0106
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1401 0.1366
Loa Loa (eye worm) hypothetical protein 0.0031 0.0544 0.1089
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0639 0.1198
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0765 0.1435
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0765 0.0728
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0084 0.0044
Mycobacterium leprae conserved hypothetical protein 0.004 0.0765 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0544 0.0506
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0765 0.1262
Schistosoma mansoni inositol monophosphatase 0.0041 0.0767 0.073
Loa Loa (eye worm) hypothetical protein 0.0011 0.0089 0.0106
Brugia malayi nuclear hormone receptor 0.0011 0.0089 0.0106
Echinococcus multilocularis muscleblind protein 1 0.0162 0.3549 0.3523
Schistosoma mansoni hypothetical protein 0.017 0.3734 0.3708
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0089 0.0049
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0089 0.0049
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0089 0.0106
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0765 0.1262
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0544 0.0506
Brugia malayi nuclear receptor NHR-88 0.0011 0.0089 0.0106
Trichomonas vaginalis set domain proteins, putative 0.024 0.5332 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0136 0.0256
Loa Loa (eye worm) TAR-binding protein 0.0133 0.2888 0.6154
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0041 0.0001
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0089 0.0049
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0765 0.5313
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0089 0.0106
Loa Loa (eye worm) hypothetical protein 0.0011 0.0089 0.0106
Echinococcus multilocularis cpg binding protein 0.0033 0.0593 0.0554
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0136 0.0256
Schistosoma mansoni ferritin light chain 0.0009 0.0044 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0089 0.0106
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0089 0.0106
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0765 0.1435
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.3149 0.6719
Schistosoma mansoni cpg binding protein 0.0033 0.0593 0.0554
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0089 0.0106
Brugia malayi steroid hormone receptor 0.0011 0.0089 0.0106
Loa Loa (eye worm) hypothetical protein 0.004 0.0765 0.1566
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.067 0.8683
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0765 0.0728
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0765 0.1262
Loa Loa (eye worm) hypothetical protein 0.004 0.0765 0.1566
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0089 0.0106
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0089 0.0049
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0136 0.0207
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0544 0.0506
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0089 0.0106
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2888 0.2859
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0639 0.1198
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0767 0.1439
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0765 0.9963
Echinococcus multilocularis muscleblind protein 0.0162 0.3549 0.3523
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0765 0.1262
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0544 0.0506
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0639 0.11
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0041 0.0001
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0089 0.0049
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.2804 0.5973
Mycobacterium tuberculosis Conserved protein 0.004 0.0765 0.1262
Echinococcus multilocularis tar DNA binding protein 0.0133 0.2888 0.2859
Brugia malayi Inositol-1 0.0041 0.0767 0.1571
Onchocerca volvulus 0.004 0.0765 0.1289
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0552 0.1105
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.3149 0.3121
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0089 0.0049
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0084 0.0044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.3149 0.3121
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0136 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0089 0.0106
Schistosoma mansoni cpg binding protein 0.0033 0.0593 0.0554
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0089 0.0049
Onchocerca volvulus 0.024 0.5332 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0767 0.5331
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0544 0.0506
Brugia malayi beta-lactamase family protein 0.004 0.0765 0.1566
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.2888 0.6154
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0639 0.7959
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.1215 0.7831
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.067 0.1096
Schistosoma mansoni alpha-glucosidase 0.0135 0.2943 0.2914
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0089 0.0049
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0639 0.3971
Loa Loa (eye worm) hypothetical protein 0.017 0.3728 0.797
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0089 0.0106
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0767 0.1439
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0544 0.0506
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2888 0.2859
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0765 0.1566
Mycobacterium ulcerans beta-lactamase 0.004 0.0765 0.5313
Brugia malayi RNA binding protein 0.0133 0.2888 0.6154
Brugia malayi TAR-binding protein 0.0133 0.2888 0.6154
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0765 0.1262
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0765 0.0728
Onchocerca volvulus 0.0091 0.1924 0.35
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.3445 0.3418
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0639 0.1198
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0089 0.0049
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0089 0.0106
Echinococcus granulosus expressed protein 0.0009 0.0044 0.0003
Echinococcus multilocularis ferritin 0.0009 0.0044 0.0003
Schistosoma mansoni apoferritin-2 0.0009 0.0044 0.0003
Schistosoma mansoni hypothetical protein 0.0443 1 1
Onchocerca volvulus 0.004 0.0765 0.1289
Loa Loa (eye worm) hypothetical protein 0.0011 0.0089 0.0106
Schistosoma mansoni ferritin 0.0009 0.0044 0.0003
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.1401 0.2375
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0639 0.7959
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0089 0.0106
Brugia malayi Pre-SET motif family protein 0.0031 0.0544 0.1089
Loa Loa (eye worm) hypothetical protein 0.004 0.0765 0.1566
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0089 0.0049
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0089 0.0049
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.2888 0.6154
Loa Loa (eye worm) hypothetical protein 0.0162 0.3549 0.7584
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0089 0.0106
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0639 0.1293
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0765 0.0728
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0089 0.0049
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0089 0.0049
Brugia malayi CXXC zinc finger family protein 0.0031 0.0552 0.1105
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0089 0.0049
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1401 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0089 0.0106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.3149 0.3121
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0089 0.0106
Brugia malayi beta-lactamase family protein 0.004 0.0765 0.1566
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0639 0.0601
Echinococcus granulosus tar DNA binding protein 0.0133 0.2888 0.2859
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0089 0.0049
Leishmania major hypothetical protein, conserved 0.004 0.0765 0.497
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0639 0.7959
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0089 0.0049
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1401 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0089 0.0049
Brugia malayi ecdysteroid receptor 0.0011 0.0089 0.0106
Onchocerca volvulus 0.0031 0.0552 0.0882
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0136 0.0256
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0765 0.5313
Echinococcus granulosus lysosomal alpha glucosidase 0.0157 0.3445 0.3418
Loa Loa (eye worm) hypothetical protein 0.0011 0.0089 0.0106
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0767 0.073
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0136 0.0256
Brugia malayi Muscleblind-like protein 0.0162 0.3549 0.7584
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0639 0.1198
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0767 1
Schistosoma mansoni apoferritin-2 0.0009 0.0044 0.0003
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0767 0.2604
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0767 0.1439
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2888 0.2859
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.3149 0.6719
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0765 0.1566
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0767 1
Trichomonas vaginalis ferritin, putative 0.0009 0.0044 0.0082
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0089 0.0049
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0089 0.0106
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0041 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0089 0.0106
Toxoplasma gondii ABC1 family protein 0.004 0.0765 0.2576
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0089 0.0049
Onchocerca volvulus 0.004 0.0765 0.1289
Schistosoma mansoni hypothetical protein 0.017 0.3734 0.3708
Brugia malayi MH2 domain containing protein 0.0129 0.2804 0.5973
Schistosoma mansoni alpha-glucosidase 0.0135 0.2943 0.2914
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.1401 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0639 0.1198
Loa Loa (eye worm) inositol-1 0.0041 0.0767 0.1571
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0544 0.0506
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0089 0.0049
Loa Loa (eye worm) hypothetical protein 0.0013 0.0136 0.0207
Schistosoma mansoni coup transcription factor 0.0011 0.0089 0.0049
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0089 0.0106
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0639 0.1198
Schistosoma mansoni ferritin 0.0009 0.0044 0.0003
Brugia malayi Pre-SET motif family protein 0.0211 0.4667 1
Echinococcus granulosus cpg binding protein 0.0033 0.0593 0.0554
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0089 0.0106
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0044 0.5
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0084 0.0095
Loa Loa (eye worm) hypothetical protein 0.004 0.0765 0.1566
Schistosoma mansoni alpha glucosidase 0.0035 0.0639 0.0601
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2888 0.2859
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0089 0.0049
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2888 0.2859
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0765 0.1262
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0767 0.4989
Schistosoma mansoni cpg binding protein 0.0031 0.0552 0.0513
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.1401 0.1366
Echinococcus multilocularis expressed protein 0.0009 0.0044 0.0003
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0136 0.0256
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0089 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0089 0.0106
Loa Loa (eye worm) hypothetical protein 0.0162 0.3549 0.7584
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.3149 0.3121
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.4667 1
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0765 0.9963
Loa Loa (eye worm) hypothetical protein 0.0011 0.0089 0.0106
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.3149 0.3121
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0089 0.0049
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.1377 0.1342
Brugia malayi beta-lactamase 0.004 0.0765 0.1566
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0089 0.0106
Echinococcus multilocularis geminin 0.017 0.3734 0.3708
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0639 0.0601
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0767 0.073
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0767 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.3149 0.3121
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0503 0.0465
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.3445 0.3418
Schistosoma mansoni inositol monophosphatase 0.0041 0.0767 0.073
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0089 0.0049
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0089 0.0049
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.1401 1
Mycobacterium ulcerans lipase LipD 0.004 0.0765 0.5313
Onchocerca volvulus 0.0031 0.0544 0.0868
Loa Loa (eye worm) RNA binding protein 0.0133 0.2888 0.6154
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0089 0.0106
Loa Loa (eye worm) hypothetical protein 0.004 0.0765 0.1566
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.3149 0.3121
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0767 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0639 0.1293
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0767 1
Schistosoma mansoni ferritin 0.0009 0.0044 0.0003
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0089 0.0049
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0639 0.1198
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0013 0.0136 0.009
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0765 0.1435
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.1401 0.1366
Trichomonas vaginalis esterase, putative 0.004 0.0765 0.1435
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0041 0.0001
Loa Loa (eye worm) hypothetical protein 0.0011 0.0089 0.0106
Schistosoma mansoni ferritin 0.0009 0.0044 0.0003
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0089 0.0106
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0765 0.1262
Echinococcus granulosus ferritin 0.0009 0.0044 0.0003
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.2804 0.5973
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0639 0.7959
Brugia malayi hypothetical protein 0.017 0.3728 0.797

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 31 nM Agonist activity at human V2 receptor ChEMBL. 21885275
IC50 (functional) = 3.2 nM Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds by FLIPR assay ChEMBL. 21885275
IC50 (binding) = 47300 nM Displacement of [3H]dofetilide from human ERG transfected in HEK293 cells by fluorescence polarization binding assay ChEMBL. 21885275
IC50 (ADMET) > 30 uM Inhibition of CYP1A2 ChEMBL. 21885275
IC50 (ADMET) > 30 uM Inhibition of CYP2C9 ChEMBL. 21885275
IC50 (ADMET) > 30 uM Inhibition of CYP2C19 ChEMBL. 21885275
IC50 (ADMET) > 30 uM Inhibition of CYP2D6 ChEMBL. 21885275
IC50 (ADMET) > 30 uM Inhibition of CYP3A4 ChEMBL. 21885275

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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