Detailed information for compound 1535776

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.857 | Formula: C15H20ClN3S
  • H donors: 1 H acceptors: 2 LogP: 3.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1CNCCCSc1ncccn1.Cl
  • InChi: 1S/C15H19N3S.ClH/c1-13-6-2-3-7-14(13)12-16-8-5-11-19-15-17-9-4-10-18-15;/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3;1H
  • InChiKey: BPPSLTXFVZHJGL-UHFFFAOYSA-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

No curated genes were found associated with this compound

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
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0033 0.0053 0.0196
Loa Loa (eye worm) hypothetical protein 0.0024 0.0034 0.073
Plasmodium vivax telomerase reverse transcriptase, putative 0.1347 0.2721 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0817
Chlamydia trachomatis DNA polymerase I 0.0115 0.0219 1
Echinococcus granulosus nibrin 0.001 0.0006 0.0042
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0018 0.0022 0.1001
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0126
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0018 0.0022 0.1001
Entamoeba histolytica hypothetical protein 0.001 0.0006 0.0315
Trypanosoma cruzi mitochondrial DNA polymerase I protein C 0.0009 0.0003 0.0013
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0018 0.0022 0.1001
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0006 0.0817
Schistosoma mansoni DNA polymerase gamma 0.0009 0.0003 0.0025
Echinococcus multilocularis DNA polymerase theta 0.0009 0.0003 0.0021
Leishmania major mitochondrial DNA polymerase I protein C, putative 0.0009 0.0003 0.0013
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0082 0.0152 0.0557
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0034 0.0126
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0082 0.0152 0.0557
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0018 0.0022 0.1001
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0072 0.0439
Schistosoma mansoni cpg binding protein 0.0031 0.0048 0.0342
Plasmodium falciparum plastid replication-repair enzyme 0.0033 0.0053 0.0196
Echinococcus granulosus DNA polymerase theta 0.0009 0.0003 0.0025
Brugia malayi CXXC zinc finger family protein 0.0029 0.0044 0.0061
Echinococcus multilocularis protein patched 0.0043 0.0072 0.0439
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.002 0.0913
Schistosoma mansoni hypothetical protein 0.0025 0.0036 0.0255
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0034 0.1562
Echinococcus granulosus microtubule associated protein 2 0.0694 0.1396 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0022 0.1003
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0817
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0018 0.0022 0.1001
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0018 0.0022 0.1001
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0018 0.0022 0.1001
Loa Loa (eye worm) CYP4Cod1 0.0027 0.004 0.0849
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0018 0.0022 0.1001
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0469
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0034 0.0126
Trypanosoma cruzi DNA polymerase theta 0.0009 0.0003 0.0013
Toxoplasma gondii cytochrome p450 superfamily protein 0.0018 0.0022 0.0081
Echinococcus multilocularis protein dispatched 1 0.0049 0.0084 0.0513
Entamoeba histolytica hypothetical protein 0.0036 0.0059 0.3171
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0034 0.183
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0034 0.1562
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0006 0.0817
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0034 0.1562
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0018 0.0022 0.1001
Echinococcus multilocularis muscleblind protein 0.015 0.0291 0.1771
Trypanosoma brucei mitochondrial DNA polymerase I protein D, putative 0.0009 0.0003 0.0013
Echinococcus granulosus expressed conserved protein 0.0093 0.0175 0.1252
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.011 0.0787
Schistosoma mansoni cpg binding protein 0.0029 0.0044 0.0319
Schistosoma mansoni microtubule-associated protein tau 0.0694 0.1396 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0059 0.0425
Echinococcus granulosus twinkle protein mitochondrial 0.0025 0.0036 0.0255
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0006 0.0042
Echinococcus multilocularis muscleblind protein 1 0.015 0.0291 0.1771
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0006 0.0008
Brugia malayi hypothetical protein 0.0238 0.0469 0.0646
Brugia malayi DNA polymerase I family protein 0.0033 0.0053 0.0073
Trypanosoma brucei DNA polymerase theta, putative 0.0009 0.0003 0.0013
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.0082 0.0152 0.0557
Loa Loa (eye worm) hypothetical protein 0.015 0.0291 0.6205
Plasmodium vivax plastid replication-repair enzyme, putative 0.0033 0.0053 0.0196
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.0187 0.0257
Brugia malayi Cytochrome P450 family protein 0.0027 0.004 0.0055
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0018 0.0022 0.1001
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0004 0.0024
Toxoplasma gondii RNA-directed DNA polymerase 0.1347 0.2721 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0034 0.1562
Giardia lamblia Telomerase catalytic subunit 0.1347 0.2721 1
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0006 0.0817
Loa Loa (eye worm) hypothetical protein 0.015 0.0291 0.6205
Leishmania major cytochrome p450-like protein 0.0018 0.0022 0.0081
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.002 0.0913
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0018 0.0022 0.1001
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0034 0.0126
Trypanosoma cruzi mitochondrial DNA polymerase I protein B, putative 0.0009 0.0003 0.0013
Mycobacterium leprae putative cytochrome p450 0.0018 0.0022 0.1001
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.004 0.0146
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.0822 0.5001
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.0187 0.1339
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0817
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0018 0.0022 0.1001
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0469
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0469
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0004 0.0005
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0006 0.0315
Entamoeba histolytica hypothetical protein 0.0036 0.0059 0.3171
Schistosoma mansoni cpg binding protein 0.0031 0.0048 0.0342
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0.004 0.1818
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0059 0.0361
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0034 0.1562
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.011 0.5014
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0018 0.0022 0.1001
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0018 0.0022 0.1001
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0126
Schistosoma mansoni hypothetical protein 0.0036 0.0059 0.0425
Mycobacterium ulcerans 5'-3' exonuclease 0.0082 0.0152 0.6917
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0 0.0003
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0018 0.0022 0.1001
Trichomonas vaginalis DNA polymerase I, putative 0.0033 0.0053 0.7394
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0469
Schistosoma mansoni hypothetical protein 0.0025 0.0036 0.0255
Trypanosoma cruzi mitochondrial DNA polymerase I protein D, putative 0.0009 0.0003 0.0013
Brugia malayi hypothetical protein 0.001 0.0006 0.0008
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0115 0.0219 1
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0006 0.0036
Trypanosoma brucei cytochrome P450, putative 0.0027 0.004 0.0146
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.0273 0.1664
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0022 0.0081
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0006 0.0022
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0018 0.0022 0.1001
Brugia malayi DNA polymerase I family protein 0.0009 0.0003 0.0005
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.011 0.0787
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0115 0.0219 1
Onchocerca volvulus 0.0049 0.0084 0.0084
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0059 0.0425
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0126
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0018 0.0022 0.1001
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0018 0.0022 0.1001
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0006 0.0022
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0018 0.0022 0.1001
Brugia malayi Cytochrome P450 family protein 0.0018 0.0022 0.003
Leishmania major cytochrome p450-like protein 0.0027 0.004 0.0146
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.011 0.5014
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.0469 0.2855
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0018 0.0022 0.1001
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.002 0.0913
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0018 0.0022 0.1001
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0816 0.1643 1
Brugia malayi topoisomerase 0.001 0.0006 0.0008
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0018 0.0022 0.1001
Loa Loa (eye worm) cytochrome P450 0.0018 0.0022 0.0468
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0006 0.0008
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.011 0.0669
Loa Loa (eye worm) hypothetical protein 0.0018 0.0022 0.0469
Trypanosoma cruzi mitochondrial DNA polymerase I protein B, putative 0.0009 0.0003 0.0013
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0 0.0003
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0 0.0002
Schistosoma mansoni DNA polymerase I 0.0033 0.0053 0.0382
Leishmania major telomerase reverse transcriptase, putative 0.1347 0.2721 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0034 0.1562
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1347 0.2721 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0018 0.0022 0.1001
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0006 0.0269
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0034 0.0047
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.011 0.0404
Mycobacterium ulcerans hypothetical protein 0.0024 0.0034 0.1562
Brugia malayi Cytochrome P450 family protein 0.0056 0.01 0.0138
Onchocerca volvulus 0.001 0.0006 0.0006
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0034 0.183
Brugia malayi Muscleblind-like protein 0.015 0.0291 0.0401
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0006 0.0022
Brugia malayi Cytochrome P450 family protein 0.0027 0.004 0.0055
Echinococcus granulosus DNA polymerase subunit gamma 0.0009 0.0003 0.0025
Leishmania major DNA polymerase theta (polymerase domain only), putative 0.0009 0.0003 0.0013
Plasmodium falciparum telomerase reverse transcriptase 0.1347 0.2721 1
Leishmania major mitochondrial DNA polymerase I protein A, putative 0.0033 0.0053 0.0196
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0072 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.011 0.5014
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0022 0.1003
Toxoplasma gondii helicase, putative 0.0033 0.0053 0.0196
Mycobacterium ulcerans DNA polymerase I 0.0115 0.0219 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0034 0.073
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.0082 0.0152 0.0557
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0018 0.0022 0.1001
Schistosoma mansoni hypothetical protein 0.0041 0.0069 0.0494
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0072 0.1538
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0006 0.0022
Brugia malayi cytochrome P450 0.0018 0.0022 0.003
Loa Loa (eye worm) hypothetical protein 0.0238 0.0469 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0018 0.0022 0.1001
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0126
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0034 0.1562
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0126
Schistosoma mansoni topbp1 0.001 0.0006 0.0042
Loa Loa (eye worm) hypothetical protein 0.0052 0.0092 0.1952
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0 0.0002
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0004 0.0028
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0018 0.0022 0.1001
Brugia malayi CHE-14 protein 0.0043 0.0072 0.0099
Echinococcus multilocularis cpg binding protein 0.0031 0.0048 0.0291
Leishmania major mitochondrial DNA polymerase I protein D, putative 0.0009 0.0003 0.0013
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0034 0.183
Leishmania major mitochondrial DNA polymerase I protein B, putative 0.0009 0.0003 0.0013
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0006 0.0022
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.002 0.0913
Schistosoma mansoni hypothetical protein 0.0049 0.0084 0.0604
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0006 0.0022
Echinococcus granulosus cpg binding protein 0.0031 0.0048 0.0342
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0018 0.0022 0.1001
Schistosoma mansoni hypothetical protein 0.0041 0.0069 0.0494
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0018 0.0022 0.0081
Echinococcus granulosus muscleblind protein 0.015 0.0291 0.2085
Loa Loa (eye worm) hypothetical protein 0.0009 0.0003 0.0073
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0018 0.0022 0.1001
Brugia malayi hypothetical protein 0.0036 0.0059 0.0082
Echinococcus multilocularis microtubule associated protein 2 0.0694 0.1396 0.8497
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0018 0.0022 0.1001
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0126
Mycobacterium tuberculosis Probable 5'-3' exonuclease 0.0082 0.0152 0.6917
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0018 0.0022 0.0081
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0033 0.0053 0.0196
Schistosoma mansoni hypothetical protein 0.0041 0.0069 0.0494
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0082 0.0152 0.0557
Loa Loa (eye worm) hypothetical protein 0.0033 0.0053 0.1137
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0018 0.0022 0.1001
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.011 0.079
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0006 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0817
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1347 0.2721 1
Echinococcus granulosus replication factor c subunit 1 0.001 0.0006 0.0042
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.019 0.1362
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.0187 0.1138
Plasmodium vivax DNA polymerase 1, putative 0.0009 0.0003 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0018 0.0022 0.1001
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0034 0.0047
Echinococcus granulosus dnaJ subfamily B 0.0412 0.0822 0.5886
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.01 0.213
Echinococcus multilocularis twinkle protein, mitochondrial 0.0025 0.0036 0.0217
Trypanosoma brucei mitochondrial DNA polymerase I protein C 0.0009 0.0003 0.0013
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0006 0.0817
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0034 0.1562
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0044 0.0948
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0004 0.0084
Echinococcus multilocularis nibrin 0.001 0.0006 0.0036
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0018 0.0022 0.1001
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0034 0.0047
Onchocerca volvulus 0.0024 0.0034 0.0034
Onchocerca volvulus Twinkle protein, mitochondrial homolog 0.0025 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0009 0.0004 0.0078
Loa Loa (eye worm) hypothetical protein 0.0024 0.0034 0.073
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0817
Trypanosoma brucei mitochondrial DNA polymerase I protein B 0.0009 0.0003 0.0013
Trypanosoma brucei telomerase reverse transcriptase 0.1347 0.2721 1
Schistosoma mansoni cytochrome P450 0.0018 0.0022 0.0157
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0072 0.0517
Brugia malayi Telomerase reverse transcriptase 0.3584 0.7265 1
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.004 0.0067 0.0246
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0022 0.0081
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0018 0.0022 0.1001
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0006 0.0022
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0022 0.0081
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.0273 0.1958
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0018 0.0022 0.0081
Schistosoma mansoni hypothetical protein 0.0041 0.0069 0.0494
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.011 0.0787
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.0469 0.336
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0034 0.1562
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0034 0.1562
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0018 0.0022 0.1001
Loa Loa (eye worm) twinkle helicase 0.0025 0.0036 0.076
Entamoeba histolytica hypothetical protein 0.0036 0.0059 0.3171
Echinococcus multilocularis 0.0018 0.0022 0.0134
Loa Loa (eye worm) hypothetical protein 0.0099 0.0187 0.3986
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.011 0.0404
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0006 0.0817
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0018 0.0022 0.1001
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.0187 1
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0082 0.0152 0.0557
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0072 0.0517
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0033 0.0053 0.0196
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0097 0.0356
Echinococcus multilocularis hypothetical protein 0.0009 0.0003 0.0021
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.0022 0.0157
Schistosoma mansoni patched 1 0.0043 0.0072 0.0517
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0033 0.0053 0.0196
Trypanosoma brucei DNA polymerase theta 0.0009 0.0003 0.0013
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.004 0.0146
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.004 0.0849
Leishmania major cytochrome p450-like protein 0.0018 0.0022 0.0081
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0006 0.0022
Entamoeba histolytica DNA-directed DNA polymerase, putative 0.0033 0.0053 0.2852
Brugia malayi hypothetical protein 0.001 0.0006 0.0008
Loa Loa (eye worm) hypothetical protein 0.0043 0.0072 0.1538
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0084 0.0116
Brugia malayi DKFZp564C0469 protein 0.001 0.0006 0.0008
Trypanosoma cruzi mitochondrial DNA polymerase I protein D, putative 0.0009 0.0003 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0018 0.0022 0.1001
Schistosoma mansoni topbp1 0.001 0.0006 0.0042
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0 0.0003
Trypanosoma cruzi mitochondrial DNA polymerase I protein C 0.0009 0.0003 0.0013
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0018 0.0022 0.1001
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0115 0.0219 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0018 0.0022 0.1001
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0022 0.0754
Plasmodium falciparum DNA polymerase 1, putative 0.0009 0.0003 0.0013
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.004 0.0849
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0034 0.1562
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0018 0.0022 0.1001
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0006 0.0269
Onchocerca volvulus 0.0029 0.0044 0.0044
Echinococcus multilocularis expressed conserved protein 0.0093 0.0175 0.1064
Schistosoma mansoni survival motor neuron protein 0.0049 0.0084 0.0604
Toxoplasma gondii DNA polymerase I domain-containing protein 0.0033 0.0053 0.0196
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.011 0.5014
Treponema pallidum DNA polymerase I (polA) 0.0115 0.0219 1
Schistosoma mansoni hypothetical protein 0.0412 0.0822 0.5886
Entamoeba histolytica hypothetical protein 0.0036 0.0059 0.3171
Schistosoma mansoni hypothetical protein 0.0018 0.0022 0.0157
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0018 0.0022 0.1001
Schistosoma mansoni DNA ligase IV 0.001 0.0006 0.0042
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0022 0.0081
Mycobacterium leprae Conserved hypothetical protein 0.0018 0.0022 0.1001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.