Detailed information for compound 1069613

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 442.821 | Formula: C22H14ClF3N4O
  • H donors: 1 H acceptors: 4 LogP: 4.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1c1cnc2c(n1)cccc2)NC(=O)c1ccc(nc1C)C(F)(F)F
  • InChi: 1S/C22H14ClF3N4O/c1-12-14(7-9-20(28-12)22(24,25)26)21(31)29-13-6-8-16(23)15(10-13)19-11-27-17-4-2-3-5-18(17)30-19/h2-11H,1H3,(H,29,31)
  • InChiKey: PPCHGKPZIRTPDN-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

Species Target name Source Bibliographic reference
Mus musculus sonic hedgehog Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K06224 hedgehog, putative Get druggable targets OG5_131225 All targets in OG5_131225
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 hypothetical protein 0.0176 0.5521 0.5678
Schistosoma mansoni hypothetical protein 0.0306 0.9723 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0576 0.5587
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0145 0.0145
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0045 0.0357
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.9723 0.9723
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0045 0.0357
Loa Loa (eye worm) hypothetical protein 0.001 0.0145 0.0145
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0457 0.4588
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0356 0.3972
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0457 0.4588
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0045 0.0045
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0457 0.6076
Echinococcus granulosus geminin 0.0176 0.5521 0.5521
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0045 0.0455
Brugia malayi Hint module family protein 0.0061 0.1813 0.1813
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0145 0.0145
Echinococcus granulosus importin subunit beta 1 0.0029 0.0752 0.0752
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0996 1
Echinococcus granulosus Desert hedgehog protein 0.0226 0.7145 0.7145
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0507 0.6744
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0145 0.0149
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0045 0.0455
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0507 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0576 0.5788
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0145 0.0145
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0576 0.579
Brugia malayi Inositol-1 0.0036 0.0996 0.0996
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0145 0.0145
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0507 0.0507
Echinococcus multilocularis snurportin 1 0.0306 0.9723 0.9723
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0996 0.0996
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1275 0.1311
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0507 0.5092
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0873 1
Onchocerca volvulus 0.001 0.0145 0.1878
Entamoeba histolytica Ran family GTPase 0.0021 0.0507 0.5092
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1275 0.1275
Plasmodium vivax importin-beta 2, putative 0.0029 0.0752 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0576 0.6544
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0356 0.3972
Loa Loa (eye worm) hypothetical protein 0.001 0.0145 0.0145
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0145 0.0145
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0996 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0045 0.0357
Echinococcus multilocularis geminin 0.0176 0.5521 0.5521
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0145 0.0145
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1275 0.1311
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0045 0.0455
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0029 0.0752 0.0752
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0145 0.0145
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0145 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0145 0.0145
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1275 0.1275
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0507 0.4858
Loa Loa (eye worm) hypothetical protein 0.001 0.0145 0.0145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0145 0.0145
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0045 0.0357
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0045 0.0357
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0145 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0145 0.0145
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0457 0.6076
Loa Loa (eye worm) hypothetical protein 0.0017 0.0386 0.0386
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0145 0.0149
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0007 0.0045 0.0455
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0356 0.3972
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0386 0.3588
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0045 0.0455
Echinococcus multilocularis hedgehog 0.0226 0.7145 0.7145
Loa Loa (eye worm) hypothetical protein 0.001 0.0145 0.0145
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0045 0.0603
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0145 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0017 0.0386 0.0386
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0576 0.5587
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0576 0.579
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0576 0.6416
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0045 0.0357
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0576 0.0576
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0045 0.0045
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0576 0.5788
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1275 0.1275
Leishmania major importin beta-1 subunit, putative 0.0023 0.0576 0.579
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0752 0.7551
Schistosoma mansoni importin beta-1 0.0029 0.0752 0.0773
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0145 0.0145
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0045 0.0357
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1275 0.1311
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0145 0.0145
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0576 0.5788
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0145 0.1878
Echinococcus granulosus snurportin 1 0.0306 0.9723 0.9723
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0045 0.0455
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0996 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0576 0.5587
Schistosoma mansoni inositol monophosphatase 0.0036 0.0996 0.1024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1275 0.1275
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1275 0.1275
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0045 0.0357
Brugia malayi nuclear receptor NHR-88 0.001 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0007 0.0045 0.0045
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0457 0.0457
Loa Loa (eye worm) oxidoreductase 0.0007 0.0045 0.0045
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0145 0.0145
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0457 0.4588
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0996 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0576 0.5587
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0873 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0507 0.0507
Onchocerca volvulus 0.0023 0.0576 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0145 0.0145
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0145 0.0149
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0576 0.5788
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0576 0.0576
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0045 0.0045
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0045 0.0357
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.0045 0.0455
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0386 0.5
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0145 0.1878
Loa Loa (eye worm) hypothetical protein 0.0007 0.0045 0.0045
Echinococcus granulosus FTZ F1 alpha 0.001 0.0145 0.0145
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0386 0.5138
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0017 0.0386 0.0386
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0996 0.0996
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0145 0.0145
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0576 0.6416
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0145 0.1878
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0576 0.5587
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0457 0.4588
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0752 0.7551
Brugia malayi Hint module family protein 0.0061 0.1813 0.1813
Onchocerca volvulus 0.0011 0.0168 0.2306
Loa Loa (eye worm) hypothetical protein 0.001 0.0145 0.0145
Schistosoma mansoni ap endonuclease 0.002 0.0457 0.047
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0145 0.0145
Loa Loa (eye worm) inositol-1 0.0036 0.0996 0.0996
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0145 0.0145
Schistosoma mansoni ran 0.0021 0.0507 0.0521
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0145 0.0149
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0145 0.0145
Schistosoma mansoni inositol monophosphatase 0.0036 0.0996 0.1024
Mycobacterium ulcerans hypothetical protein 0.0023 0.0576 0.5587
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0145 0.0145
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0386 0.433
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0023 0.0576 0.0576
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0145 0.0145
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0457 0.4329
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0145 0.0149
Loa Loa (eye worm) hypothetical protein 0.0023 0.0576 0.0576
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0145 0.0145
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0996 1
Brugia malayi nuclear hormone receptor 0.001 0.0145 0.0145
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0457 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0576 0.5788
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0145 0.0145
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0507 0.0507
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0145 0.0145
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1275 0.1275
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0045 0.0045
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0507 0.0507
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0145 0.0145
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0045 0.0357
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0507 0.6744
Schistosoma mansoni hypothetical protein 0.0176 0.5521 0.5678
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0045 0.0045
Schistosoma mansoni nuclear hormone receptor 0.001 0.0145 0.0149
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0752 0.0752
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0145 0.0145
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0045 0.0045
Brugia malayi steroid hormone receptor 0.001 0.0145 0.0145
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0045 0.0045
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0996 1
Entamoeba histolytica hypothetical protein 0.0023 0.0576 0.579
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0045 0.0455
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.001 0.0145 0.0145
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0457 0.0457
Brugia malayi Importin beta-1 subunit 0.0029 0.0752 0.0752
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0576 0.579
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0145 0.0145
Plasmodium falciparum importin beta, putative 0.0029 0.0752 1
Schistosoma mansoni coup transcription factor 0.001 0.0145 0.0149
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0045 0.0455
Schistosoma mansoni ap endonuclease 0.002 0.0457 0.047
Loa Loa (eye worm) hypothetical protein 0.0023 0.0576 0.0576
Schistosoma mansoni thyroid hormone receptor 0.001 0.0145 0.0149
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0045 0.0455
Loa Loa (eye worm) hypothetical protein 0.0061 0.1813 0.1813
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0386 0.5138
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0145 0.0145
Brugia malayi ecdysteroid receptor 0.001 0.0145 0.0145
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0996 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0507 0.5092
Toxoplasma gondii exonuclease III APE 0.002 0.0457 0.4588
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0145 0.0149
Loa Loa (eye worm) hypothetical protein 0.001 0.0145 0.0145
Schistosoma mansoni hypothetical protein 0.0165 0.5157 0.5304
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0356 0.3972
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0457 0.4329
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0045 0.0047
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0457 0.4588
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0145 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0017 0.0386 0.0386
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0996 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0457 0.0457
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0145 0.0145
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0576 0.5587
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0007 0.0045 0.0603
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0752 0.7551
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0576 0.6544
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0145 0.0145
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0996 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0145 0.0145
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0457 0.5151
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0145 0.0145
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0145 0.0149
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0145 0.0145
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0045 0.0455
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0145 0.0149
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0576 0.5587
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0145 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0145 0.0145
Schistosoma mansoni thyroid hormone receptor 0.001 0.0145 0.0149
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0145 0.0145
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0576 0.5788
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0996 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0457 0.4329
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0045 0.0357
Leishmania major GTP-binding protein, putative 0.0021 0.0507 0.5092
Loa Loa (eye worm) hypothetical protein 0.0061 0.1813 0.1813
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0996 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0386 0.0386
Trichomonas vaginalis ran, putative 0.0021 0.0507 0.5092
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0145 0.0149
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0145 0.0145
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0576 0.5589
Schistosoma mansoni ran 0.0021 0.0507 0.0521
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0507 0.4858
Brugia malayi RNA, U transporter 1 0.0081 0.2461 0.2461
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0576 0.0576

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.052 uM Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay ChEMBL. 19716296

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.

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