Detailed information for compound 375248

Basic information

Technical information
  • TDR Targets ID: 375248
  • Name: N-[2-(azepane-1-carbonyl)-5-chlorophenyl]-2,1 ,3-benzothiadiazole-7-sulfonamide
  • MW: 450.962 | Formula: C19H19ClN4O3S2
  • H donors: 1 H acceptors: 5 LogP: 4.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nsn2)C(=O)N1CCCCCC1
  • InChi: 1S/C19H19ClN4O3S2/c20-13-8-9-14(19(25)24-10-3-1-2-4-11-24)16(12-13)23-29(26,27)17-7-5-6-15-18(17)22-28-21-15/h5-9,12,23H,1-4,10-11H2
  • InChiKey: MOMLERBGPTUXTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(azepane-1-carbonyl)-5-chloro-phenyl]-2,1,3-benzothiadiazole-7-sulfonamide
  • N-[2-[1-azepanyl(oxo)methyl]-5-chlorophenyl]-2,1,3-benzothiadiazole-7-sulfonamide
  • N-[2-(azepan-1-ylcarbonyl)-5-chloro-phenyl]-2,1,3-benzothiadiazole-7-sulfonamide
  • N-[2-(azepane-1-carbonyl)-5-chloro-phenyl]piazthiole-4-sulfonamide
  • N-[2-(1-azepanyl-oxomethyl)-5-chlorophenyl]-2,1,3-benzothiadiazole-7-sulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholecystokinin B receptor Starlite/ChEMBL References
Homo sapiens cholecystokinin A receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi sulfakinin receptor protein Get druggable targets OG5_132882 All targets in OG5_132882
Brugia malayi hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus rhodopsin orphan GPCR cholecystokinin A receptor 428 aa 373 aa 19.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus notch 0.0763 0.2248 0.3848
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0018 0.0043
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1418 0.4226 1
Plasmodium falciparum cGMP-dependent protein kinase 0.0041 0.0069 0.0115
Brugia malayi CXXC zinc finger family protein 0.0029 0.0033 0.0026
Schistosoma mansoni notch 0.0763 0.2248 0.2242
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0041 0.0069 0.0077
Brugia malayi dihydrofolate reductase family protein 0.0578 0.1691 0.1685
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1997 0.5971 1
Echinococcus multilocularis enteropeptidase 0.195 0.5829 1
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0041 0.0069 0.0061
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0041 0.0069 0.0105
Onchocerca volvulus 0.0763 0.2248 0.2242
Brugia malayi thymidylate synthase 0.1418 0.4226 0.4222
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0041 0.0069 0.0061
Schistosoma mansoni voltage-gated potassium channel 0.0061 0.013 0.0122
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0018 0.0011
Echinococcus granulosus transmembrane protease serine 3 0.0757 0.2231 0.382
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0069 0.0163
Schistosoma mansoni notch 0.0763 0.2248 0.2242
Onchocerca volvulus 0.3332 1 1
Brugia malayi notch-like transmembrane receptor 0.0763 0.2248 0.2242
Schistosoma mansoni cell polarity protein 0.0763 0.2248 0.2242
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Echinococcus granulosus neurogenic locus protein delta 0.0763 0.2248 0.3848
Echinococcus granulosus cGMP dependent protein kinase 0.0041 0.0069 0.0105
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Leishmania major hypothetical protein, conserved 0.1857 0.555 0.9294
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0307 0.0873 0.1487
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Schistosoma mansoni notch 0.0763 0.2248 0.2242
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0018 0.0043
Loa Loa (eye worm) hypothetical protein 0.3332 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0033 0.0033
Loa Loa (eye worm) ryanodine receptor 0.002 0.0007 0.0007
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0041 0.0069 0.0163
Giardia lamblia High cysteine protein 0.0763 0.2248 1
Toxoplasma gondii PAN domain-containing protein 0.0604 0.1768 0.2204
Echinococcus granulosus neurogenic locus notch protein 0.0763 0.2248 0.3848
Brugia malayi EGF-like domain containing protein 0.0763 0.2248 0.2242
Onchocerca volvulus 0.0604 0.1768 0.1762
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0675 0.1982 0.3312
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Onchocerca volvulus 0.0763 0.2248 0.2242
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0041 0.0069 0.0103
Echinococcus multilocularis tissue type plasminogen activator 0.1857 0.555 0.9519
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1997 0.5971 1
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0041 0.0069 0.0061
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0041 0.0069 0.0105
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Brugia malayi Calcium binding EGF domain containing protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) hypothetical protein 0.0757 0.2231 0.2231
Echinococcus granulosus protein jagged 2 0.0763 0.2248 0.3848
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.195 0.5829 0.5826
Trypanosoma brucei Flagellar Member 6 0.0041 0.0069 0.0103
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0041 0.0069 0.0069
Brugia malayi Trypsin family protein 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Onchocerca volvulus 0.0604 0.1768 0.1762
Schistosoma mansoni hypothetical protein 0.0034 0.005 0.0042
Treponema pallidum catabolite gene activator 0.0041 0.0069 0.5
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Toxoplasma gondii microneme protein, putative 0.0604 0.1768 0.2204
Brugia malayi N-terminal motif family protein 0.0041 0.0069 0.0061
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0097 0.009
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1997 0.5971 0.7463
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0041 0.0069 0.0077
Echinococcus granulosus patatin phospholipase domain containing protein 0.0041 0.0069 0.0105
Toxoplasma gondii microneme protein MIC17A 0.0604 0.1768 0.2204
Leishmania major regulatory subunit of protein kinase a-like protein 0.0041 0.0069 0.0103
Mycobacterium ulcerans transcriptional regulatory protein 0.0041 0.0069 0.0163
Schistosoma mansoni hypothetical protein 0.0763 0.2248 0.2242
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0061 0.013 0.021
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.0215 0.0208
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0763 0.2248 0.2242
Echinococcus multilocularis thymidylate synthase 0.1418 0.4226 0.7246
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Echinococcus granulosus protein jagged 1 0.0763 0.2248 0.3848
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0041 0.0069 0.0163
Schistosoma mansoni serine/threonine protein kinase 0.0041 0.0069 0.0061
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Schistosoma mansoni cpg binding protein 0.003 0.0038 0.0031
Echinococcus granulosus cGMP dependent protein kinase 1 0.0041 0.0069 0.0105
Trypanosoma brucei protein kinase A regulatory subunit 0.0041 0.0069 0.0103
Onchocerca volvulus 0.0604 0.1768 0.1762
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0757 0.2231 0.382
Echinococcus multilocularis dnaJ subfamily B 0.0411 0.1186 0.2025
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0069 0.0191
Echinococcus granulosus fibropellin Ia 0.0763 0.2248 0.3848
Echinococcus granulosus hyperpolarization activated cyclic 0.0061 0.013 0.021
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Treponema pallidum cyclic nucleotide binding protein 0.0041 0.0069 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.0215 0.0215
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0041 0.0069 0.0105
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Brugia malayi EGF-like domain containing protein 0.0763 0.2248 0.2242
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0041 0.0069 0.0061
Schistosoma mansoni hypothetical protein 0.1857 0.555 0.5546
Trichomonas vaginalis conserved hypothetical protein 0.0675 0.1982 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Brugia malayi GCC2 and GCC3 family protein 0.0763 0.2248 0.2242
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.3332 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0018 0.0043
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0307 0.0873 0.0866
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0018 0.0043
Echinococcus multilocularis fibrillin 1 0.1566 0.4672 0.8012
Loa Loa (eye worm) Notch2 0.0763 0.2248 0.2248
Toxoplasma gondii PAN domain-containing protein 0.0604 0.1768 0.2204
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0061 0.013 0.0122
Mycobacterium ulcerans regulatory protein 0.0041 0.0069 0.0163
Mycobacterium ulcerans hypothetical protein 0.0041 0.0069 0.0163
Toxoplasma gondii subtilisin SUB12 0.0604 0.1768 0.2204
Schistosoma mansoni laminin gamma-3 chain 0.0763 0.2248 0.2242
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0069 0.0163
Mycobacterium ulcerans transmembrane transport protein 0.0041 0.0069 0.0163
Brugia malayi Muscle positioning protein 4 0.0763 0.2248 0.2242
Onchocerca volvulus Putative cubilin 0.0763 0.2248 0.2242
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Onchocerca volvulus 0.0604 0.1768 0.1762
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.1566 0.4672 0.4668
Loa Loa (eye worm) hypothetical protein 0.0604 0.1768 0.1768
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0041 0.0069 0.0061
Brugia malayi Trypsin family protein 0.0757 0.2231 0.2226
Onchocerca volvulus 0.0604 0.1768 0.1762
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0041 0.0069 0.0105
Mycobacterium ulcerans hypothetical protein 0.0041 0.0069 0.0163
Onchocerca volvulus 0.0604 0.1768 0.1762
Loa Loa (eye worm) calcium channel 0.002 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Onchocerca volvulus Arrow homolog 0.1566 0.4672 0.4668
Brugia malayi Calcium binding EGF domain containing protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.1566 0.4672 0.4672
Loa Loa (eye worm) hypothetical protein 0.1857 0.555 0.555
Schistosoma mansoni hypothetical protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) hypothetical protein 0.0757 0.2231 0.2231
Echinococcus multilocularis neurogenic locus notch protein 0.0763 0.2248 0.3848
Brugia malayi Kringle domain containing protein 0.1857 0.555 0.5546
Toxoplasma gondii hypothetical protein 0.0604 0.1768 0.2204
Loa Loa (eye worm) PAN domain-containing protein 0.0604 0.1768 0.1768
Schistosoma mansoni hypothetical protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) voltage-gated potassium channel 0.002 0.0007 0.0007
Echinococcus multilocularis neurogenic locus notch protein 0.0763 0.2248 0.3848
Loa Loa (eye worm) voltage-dependent calcium channel 0.002 0.0007 0.0007
Loa Loa (eye worm) voltage-gated calcium channel 0.002 0.0007 0.0007
Echinococcus granulosus enteropeptidase 0.195 0.5829 1
Onchocerca volvulus 0.0763 0.2248 0.2242
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0578 0.1691 0.4002
Echinococcus multilocularis protein jagged 1 0.0763 0.2248 0.3848
Trypanosoma cruzi cAMP response protein 1, putative 0.0041 0.0069 0.0103
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0757 0.2231 0.382
Echinococcus granulosus slit 2 protein 0.0763 0.2248 0.3848
Brugia malayi Trypsin family protein 0.0757 0.2231 0.2226
Schistosoma mansoni serine/threonine protein kinase 0.0041 0.0069 0.0061
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Onchocerca volvulus 0.0041 0.0069 0.0061
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0111 0.013
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0041 0.0069 0.0105
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0041 0.0069 0.0061
Echinococcus multilocularis neural cadherin 0.0763 0.2248 0.3848
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1997 0.5971 1
Echinococcus multilocularis neurogenic locus protein delta 0.0763 0.2248 0.3848
Echinococcus granulosus Tolloid protein 1 0.1566 0.4672 0.8012
Brugia malayi EGF-like domain containing protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) notch protein 0.0763 0.2248 0.2248
Loa Loa (eye worm) hypothetical protein 0.0267 0.0751 0.0751
Loa Loa (eye worm) hypothetical protein 0.0757 0.2231 0.2231
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.1566 0.4672 0.4672
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0041 0.0069 0.0105
Toxoplasma gondii microneme protein MIC17B 0.0604 0.1768 0.2204
Brugia malayi hypothetical protein 0.0757 0.2231 0.2226
Brugia malayi Cadherin domain containing protein 0.0763 0.2248 0.2242
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0018 0.0018
Brugia malayi Trypsin-like protease protein 5 0.0757 0.2231 0.2226
Brugia malayi EGF-like domain containing protein 0.0763 0.2248 0.2242
Echinococcus granulosus neural cadherin 0.0763 0.2248 0.3848
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.3332 1 1
Trypanosoma cruzi cAMP binding protein, putative 0.0041 0.0069 0.0103
Echinococcus granulosus protein jagged 2 0.0763 0.2248 0.3848
Loa Loa (eye worm) hypothetical protein 0.0024 0.0018 0.0018
Echinococcus multilocularis hyperpolarization activated cyclic 0.0061 0.013 0.021
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.005 0.0042
Echinococcus granulosus cGMP dependent protein kinase 1 0.0041 0.0069 0.0105
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0028 0.0031 0.0024
Echinococcus multilocularis laminin 0.1566 0.4672 0.8012
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0061 0.013 0.0122
Brugia malayi EGF-like domain containing protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) trypsin family protein 0.0757 0.2231 0.2231
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0041 0.0069 0.0061
Trypanosoma brucei cAMP response protein 1, putative 0.0041 0.0069 0.0103
Brugia malayi sulfakinin receptor protein 0.0261 0.0734 0.0728
Mycobacterium ulcerans hypothetical protein 0.0024 0.0018 0.0043
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0041 0.0069 0.0103
Echinococcus multilocularis hyperpolarization activated cyclic 0.0061 0.013 0.021
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0307 0.0873 0.1487
Loa Loa (eye worm) hypothetical protein 0.0604 0.1768 0.1768
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0041 0.0069 0.0163
Trypanosoma cruzi Flagellar Member 6 0.0041 0.0069 0.0103
Schistosoma mansoni hypothetical protein 0.0041 0.0069 0.0061
Schistosoma mansoni serine/threonine protein kinase 0.0041 0.0069 0.0061
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0578 0.1691 0.4002
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0041 0.0069 0.0061
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Mycobacterium ulcerans hypothetical protein 0.0041 0.0069 0.0163
Echinococcus granulosus laminin 0.1566 0.4672 0.8012
Toxoplasma gondii calcium binding egf domain-containing protein 0.1566 0.4672 0.5837
Brugia malayi EGF-like domain containing protein 0.0763 0.2248 0.2242
Onchocerca volvulus 0.0763 0.2248 0.2242
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0041 0.0069 0.0077
Brugia malayi Fibulin-1 precursor 0.1566 0.4672 0.4668
Loa Loa (eye worm) voltage-gated potassium channel 0.002 0.0007 0.0007
Echinococcus granulosus tissue type plasminogen activator 0.1857 0.555 0.9519
Onchocerca volvulus 0.0604 0.1768 0.1762
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Echinococcus multilocularis expressed conserved protein 0.0041 0.0069 0.0105
Schistosoma mansoni hypothetical protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) hypothetical protein 0.0757 0.2231 0.2231
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Echinococcus multilocularis Tolloid protein 1 0.1566 0.4672 0.8012
Loa Loa (eye worm) ion channel NompC 0.002 0.0007 0.0007
Echinococcus granulosus voltage gated potassium channel 0.0089 0.0215 0.0356
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.0215 0.0208
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0018 0.0043
Leishmania major hypothetical protein, conserved 0.0041 0.0069 0.0103
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.0041 0.0069 0.0191
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0041 0.0069 0.0077
Echinococcus granulosus glycoprotein Antigen 5 0.195 0.5829 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.005 0.005
Brugia malayi hypothetical protein 0.0675 0.1982 0.1976
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0097 0.009
Echinococcus multilocularis transmembrane protease serine 3 0.0757 0.2231 0.382
Echinococcus multilocularis fat cadherin tumor suppressor 0.0763 0.2248 0.3848
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0763 0.2248 0.2242
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0061 0.013 0.021
Loa Loa (eye worm) hypothetical protein 0.0604 0.1768 0.1768
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0018 0.0018
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.3332 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0307 0.0873 0.0873
Chlamydia trachomatis dihydrofolate reductase 0.0578 0.1691 1
Onchocerca volvulus 0.0024 0.0018 0.0011
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0061 0.013 0.0122
Toxoplasma gondii microneme protein MIC4 0.0604 0.1768 0.2204
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0018 0.0043
Echinococcus multilocularis fibropellin Ia 0.0763 0.2248 0.3848
Toxoplasma gondii calcium binding egf domain-containing protein 0.1566 0.4672 0.5837
Loa Loa (eye worm) AGC/PKG protein kinase 0.0041 0.0069 0.0069
Echinococcus granulosus cpg binding protein 0.003 0.0038 0.0053
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0061 0.013 0.021
Mycobacterium leprae Possible transporter protein 0.0028 0.0031 0.0032
Toxoplasma gondii hypothetical protein 0.0604 0.1768 0.2204
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Echinococcus granulosus hyperpolarization activated cyclic 0.0061 0.013 0.021
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0041 0.0069 0.0105
Echinococcus multilocularis neurogenic locus notch protein 4 0.0763 0.2248 0.3848
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0287 0.0812 0.4002
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Schistosoma mansoni cpg binding protein 0.003 0.0038 0.0031
Echinococcus granulosus delta-like protein 1 0.0763 0.2248 0.3848
Onchocerca volvulus 0.0757 0.2231 0.2226
Treponema pallidum cyclic nucleotide binding protein 0.0041 0.0069 0.5
Echinococcus granulosus thymidylate synthase 0.1418 0.4226 0.7246
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0069 0.0191
Toxoplasma gondii PAN/Apple domain-containing protein 0.0604 0.1768 0.2204
Schistosoma mansoni hypothetical protein 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.0024 0.0018 0.0018
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0604 0.1768 0.2204
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0757 0.2231 0.2226
Echinococcus multilocularis glycoprotein Antigen 5 0.195 0.5829 1
Schistosoma mansoni cpg binding protein 0.0029 0.0033 0.0026
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0092 0.0085
Loa Loa (eye worm) hypothetical protein 0.0041 0.0069 0.0069
Schistosoma mansoni 60S ribosomal protein L21 0.0048 0.0092 0.0085
Leishmania major protein kinase A regulatory subunit, putative 0.0041 0.0069 0.0103
Loa Loa (eye worm) hypothetical protein 0.0604 0.1768 0.1768
Loa Loa (eye worm) hypothetical protein 0.0757 0.2231 0.2231
Mycobacterium ulcerans thymidylate synthase 0.1418 0.4226 1
Loa Loa (eye worm) PAN domain-containing protein 0.0604 0.1768 0.1768
Onchocerca volvulus 0.1857 0.555 0.5546
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0041 0.0069 0.0105
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0041 0.0069 0.0105
Loa Loa (eye worm) hypothetical protein 0.0061 0.013 0.013
Onchocerca volvulus 0.0757 0.2231 0.2226
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.1566 0.4672 0.4668
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0061 0.013 0.013
Mycobacterium ulcerans hypothetical protein 0.0757 0.2231 0.528
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0018 0.0043
Schistosoma mansoni hypothetical protein 0.0028 0.0031 0.0024
Loa Loa (eye worm) hypothetical protein 0.1566 0.4672 0.4672
Onchocerca volvulus Slit protein homolog 0.0763 0.2248 0.2242
Schistosoma mansoni notch 0.0763 0.2248 0.2242
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0041 0.0069 0.0103
Schistosoma mansoni hypothetical protein 0.0763 0.2248 0.2242
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0041 0.0069 0.0103
Plasmodium vivax cysteine repeat modular protein 1, putative 0.1857 0.555 0.9295
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0061 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Schistosoma mansoni voltage-gated potassium channel 0.0335 0.0958 0.0952
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0041 0.0069 0.0105
Onchocerca volvulus 0.0757 0.2231 0.2226
Brugia malayi Cyclic-nucleotide gated cation channel 0.0061 0.013 0.0122
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Mycobacterium leprae Conserved hypothetical protein 0.0041 0.0069 0.012
Mycobacterium ulcerans hypothetical protein 0.0041 0.0069 0.0163
Echinococcus granulosus Mastin 0.195 0.5829 1
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0757 0.2231 0.382
Toxoplasma gondii EGF family domain-containing protein 0.0763 0.2248 0.2804
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0018 0.0043
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0041 0.0069 0.0061
Onchocerca volvulus 0.0041 0.0069 0.0061
Schistosoma mansoni voltage-gated potassium channel 0.0335 0.0958 0.0952
Onchocerca volvulus Neurogenic locus notch homolog 0.0763 0.2248 0.2242
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Brugia malayi Egg laying defective protein 4 0.0041 0.0069 0.0061
Echinococcus granulosus neurogenic locus notch protein 0.0763 0.2248 0.3848
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1418 0.4226 0.4222
Loa Loa (eye worm) hypothetical protein 0.1566 0.4672 0.4672
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0061 0.013 0.0122
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0061 0.013 0.0504
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0041 0.0069 0.0061
Loa Loa (eye worm) hypothetical protein 0.0604 0.1768 0.1768
Loa Loa (eye worm) hypothetical protein 0.005 0.0097 0.0097
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0061 0.013 0.021
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0041 0.0069 0.0061
Leishmania major hypothetical protein, unknown function 0.0041 0.0069 0.0103
Onchocerca volvulus 0.0029 0.0033 0.0026
Loa Loa (eye worm) dihydrofolate reductase 0.0578 0.1691 0.1691
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0069 0.0103
Toxoplasma gondii microneme protein MIC17C 0.0604 0.1768 0.2204
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0061 0.013 0.0504
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0018 0.0018
Trypanosoma brucei cAMP binding protein, putative 0.0041 0.0069 0.0103
Loa Loa (eye worm) PAN domain-containing protein 0.0604 0.1768 0.1768
Mycobacterium tuberculosis Conserved protein 0.0041 0.0069 0.0163
Trypanosoma cruzi protein kinase A regulatory subunit 0.0041 0.0069 0.0103
Echinococcus granulosus protein jagged 1 0.0763 0.2248 0.3848
Onchocerca volvulus 0.0604 0.1768 0.1762
Brugia malayi Cadherin domain containing protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.1566 0.4672 0.4672
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1997 0.5971 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Leishmania major cyclic nucleotide-binding protein-like protein 0.0041 0.0069 0.0103
Brugia malayi Calcium binding EGF domain containing protein 0.1566 0.4672 0.4668
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0041 0.0069 0.0061
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0061 0.013 0.021
Brugia malayi Delta serrate ligand family protein 0.0763 0.2248 0.2242
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0763 0.2248 0.2242
Mycobacterium tuberculosis Hypothetical protein 0.0675 0.1982 0.4691
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Loa Loa (eye worm) bone morphogenetic protein 1b 0.1566 0.4672 0.4672
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0061 0.013 0.021
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Echinococcus multilocularis dihydrofolate reductase 0.0578 0.1691 0.2893
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0578 0.1691 0.3977
Brugia malayi EGF-like domain containing protein 0.0763 0.2248 0.2242
Leishmania major hypothetical protein, conserved 0.0041 0.0069 0.0103
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Toxoplasma gondii PAN domain-containing protein 0.2669 0.7998 1
Leishmania major protein kinase, putative 0.0041 0.0069 0.0103
Echinococcus granulosus neurogenic locus notch protein 4 0.0763 0.2248 0.3848
Loa Loa (eye worm) hypothetical protein 0.0604 0.1768 0.1768
Echinococcus granulosus dnaJ subfamily B 0.0411 0.1186 0.2025
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0089 0.0215 0.0208
Brugia malayi PAN domain containing protein 0.0604 0.1768 0.1762
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0041 0.0069 0.0061
Loa Loa (eye worm) PAN domain-containing protein 0.0604 0.1768 0.1768
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Toxoplasma gondii PAN domain-containing protein 0.2669 0.7998 1
Echinococcus multilocularis cpg binding protein 0.003 0.0038 0.0053
Treponema pallidum catabolite gene activator (Crp) 0.0041 0.0069 0.5
Loa Loa (eye worm) PAN domain-containing protein 0.0604 0.1768 0.1768
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0041 0.0069 0.0061
Loa Loa (eye worm) TK/ROR protein kinase 0.1857 0.555 0.555
Schistosoma mansoni notch 0.0763 0.2248 0.2242
Onchocerca volvulus 0.1418 0.4226 0.4222
Loa Loa (eye worm) hypothetical protein 0.0024 0.0018 0.0018
Toxoplasma gondii PAN domain-containing protein 0.0604 0.1768 0.2204
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0131 0.0124
Loa Loa (eye worm) hypothetical protein 0.1566 0.4672 0.4672
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0287 0.0812 0.4002
Onchocerca volvulus 0.0757 0.2231 0.2226
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0041 0.0069 0.0163
Schistosoma mansoni hypothetical protein 0.0757 0.2231 0.2226
Trypanosoma cruzi cyclic nucleotide-binding domain containing protein, putative 0.0041 0.0069 0.0103
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0041 0.0069 0.0115
Echinococcus multilocularis slit 2 protein 0.0763 0.2248 0.3848
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0089 0.0215 0.0356
Toxoplasma gondii PAN domain-containing protein 0.0604 0.1768 0.2204
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0018 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.1857 0.555 0.9295
Echinococcus multilocularis Mastin 0.195 0.5829 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1418 0.4226 1
Onchocerca volvulus 0.0604 0.1768 0.1762
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0069 0.0191
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0089 0.0215 0.0356
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0041 0.0069 0.0077
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0757 0.2231 0.382
Schistosoma mansoni septate junction protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) hypothetical protein 0.0604 0.1768 0.1768
Loa Loa (eye worm) hypothetical protein 0.0041 0.0069 0.0069
Brugia malayi hypothetical protein 0.0261 0.0734 0.0728
Schistosoma mansoni egf-like domain protein 0.1566 0.4672 0.4668
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0061 0.013 0.0122
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0041 0.0069 0.0105
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0018 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0763 0.2248 0.2242
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Onchocerca volvulus 0.2575 0.7715 0.7713
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0041 0.0069 0.0077
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0041 0.0069 0.0061
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0763 0.2248 0.2242
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0018 0.0043
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.0041 0.0069 0.0191
Leishmania major protein kinase, putative 0.0041 0.0069 0.0103
Trypanosoma cruzi hypothetical protein, conserved 0.1857 0.555 0.9294
Toxoplasma gondii kringle domain-containing protein 0.1857 0.555 0.6936
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Schistosoma mansoni slit 0.0763 0.2248 0.2242
Onchocerca volvulus 0.0757 0.2231 0.2226
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.0041 0.0069 0.0115
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0097 0.0097
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0018 0.0011
Onchocerca volvulus 0.0604 0.1768 0.1762
Schistosoma mansoni hypothetical protein 0.0411 0.1186 0.118
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0061 0.013 0.021
Echinococcus multilocularis notch 0.0763 0.2248 0.3848
Loa Loa (eye worm) hypothetical protein 0.1566 0.4672 0.4672
Echinococcus granulosus single minded 2 0.0028 0.0031 0.0041
Echinococcus multilocularis protein jagged 1 0.0763 0.2248 0.3848
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0041 0.0069 0.0115
Schistosoma mansoni dihydrofolate reductase 0.0578 0.1691 0.1685
Loa Loa (eye worm) hypothetical protein 0.002 0.0007 0.0007
Trypanosoma brucei STE group serine/threonine-protein kinase, putative 0.0028 0.0031 0.0041
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1997 0.5971 1
Leishmania major hypothetical protein, conserved 0.0041 0.0069 0.0103
Echinococcus granulosus dihydrofolate reductase 0.0578 0.1691 0.2893
Schistosoma mansoni hypothetical protein 0.0763 0.2248 0.2242
Echinococcus multilocularis protein jagged 2 0.0763 0.2248 0.3848
Onchocerca volvulus 0.0763 0.2248 0.2242
Brugia malayi Protein kinase domain containing protein 0.1857 0.555 0.5546
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0018 0.0011
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Echinococcus multilocularis voltage gated potassium channel 0.0089 0.0215 0.0356
Echinococcus multilocularis neurogenic locus protein delta 0.0763 0.2248 0.3848
Trypanosoma cruzi cAMP response protein 1 0.0041 0.0069 0.0103
Onchocerca volvulus 0.0604 0.1768 0.1762
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0041 0.0069 0.0061
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0041 0.0069 0.0105
Loa Loa (eye worm) thymidylate synthase 0.1418 0.4226 0.4226
Schistosoma mansoni notch 0.0763 0.2248 0.2242
Schistosoma mansoni cercarial elastase (S01 family) 0.0757 0.2231 0.2226
Loa Loa (eye worm) hypothetical protein 0.0261 0.0734 0.0734
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0757 0.2231 0.2226
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0041 0.0069 0.0406
Loa Loa (eye worm) hypothetical protein 0.0763 0.2248 0.2248
Brugia malayi Dihydrofolate reductase 0.0578 0.1691 0.1685

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = -7.2 Displacement of [125I]CCK-8S from human CCK2R ChEMBL. 17034143
Ki (binding) < -5 Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Ki (binding) > 10 uM Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Ki (binding) > 10 uM Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Log Ki (binding) < 5 Displacement of [125I]CCK-8S from human CCK1R ChEMBL. 17034143
Log Ki (binding) = 7.2 Displacement of [125I]CCK-8S from human CCK2R ChEMBL. 17034143
Stabilty (ADMET) = 2 % Stability in rat liver microsome after 30 mins ChEMBL. 17034143
Stabilty (ADMET) = 11 % Stability in human liver microsome after 30 mins ChEMBL. 17034143

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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