Detailed information for compound 309999

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 532.591 | Formula: C28H32N6O5
  • H donors: 4 H acceptors: 6 LogP: 3.2 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(C[C@@H](C(=O)N[C@@H](c1nc(c(o1)C)C(=O)O)Cc1cn(c2c1cccc2)C)NC(=O)Nc1cccnc1)C
  • InChi: 1S/C28H32N6O5/c1-16(2)12-21(32-28(38)30-19-8-7-11-29-14-19)25(35)31-22(26-33-24(27(36)37)17(3)39-26)13-18-15-34(4)23-10-6-5-9-20(18)23/h5-11,14-16,21-22H,12-13H2,1-4H3,(H,31,35)(H,36,37)(H2,30,32,38)/t21-,22+/m0/s1
  • InChiKey: QOGCUMGBYJLRDW-FCHUYYIVSA-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
Rattus norvegicus Endothelin receptor ET-A 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Endothelin receptor ET-A   426 aa 412 aa 20.1 %
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Endothelin receptor ET-A   426 aa 412 aa 21.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0063 0.0061 0.1387
Toxoplasma gondii proteasome subunit beta type, putative 0.0081 0.0107 0.2434
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.0215 0.0215
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0077 0.0095 0.2177
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0077 0.0095 0.021
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0452 0.1045 0.2299
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0057 0.0046 0.1042
Brugia malayi jmjC domain containing protein 0.0057 0.0046 0.01
Brugia malayi jmjC domain containing protein 0.0214 0.0443 0.0975
Onchocerca volvulus 0.0077 0.0095 0.04
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0212 0.0438 1
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0061 0.0135
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0095 0.2177
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.0202 0.0202
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0061 0.0061
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0212 0.0438 1
Brugia malayi Bromodomain containing protein 0.0177 0.0349 0.0768
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0061 0.0061
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0047 0.1084
Schistosoma mansoni phd/f-box containing protein 0.0057 0.0046 0.0046
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.3993 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.02 0.0408 0.0408
Loa Loa (eye worm) serotonin transporter b 0.0452 0.1045 0.1045
Onchocerca volvulus 0.0077 0.0095 0.04
Plasmodium vivax proteasome subunit beta type-1, putative 0.0063 0.0061 0.1387
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0077 0.0095 0.0095
Brugia malayi F/Y-rich N-terminus family protein 0.0062 0.0059 0.0129
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0077 0.0095 0.0095
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0081 0.0107 0.3054
Brugia malayi Peptidase family M1 containing protein 0.0212 0.0438 0.0963
Loa Loa (eye worm) hypothetical protein 0.0057 0.0046 0.0046
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0077 0.0095 0.021
Plasmodium falciparum phd finger protein, putative 0.0177 0.0349 0.7969
Plasmodium vivax proteasome subunit beta type-5, putative 0.0081 0.0107 0.2434
Toxoplasma gondii aminopeptidase n, putative 0.0212 0.0438 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0077 0.0095 0.2177
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0057 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0452 0.1045 0.1045
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.0071 0.0071
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0212 0.0438 0.0438
Echinococcus multilocularis sodium and chloride dependent glycine 0.0077 0.0095 0.0095
Schistosoma mansoni hypothetical protein 0.0063 0.0061 0.0061
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0058 0.0047 0.1084
Echinococcus multilocularis phd:f box containing protein 0.0057 0.0046 0.0046
Echinococcus granulosus jumonji domain containing protein 0.0246 0.0524 0.0524
Onchocerca volvulus 0.0212 0.0438 0.1896
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0212 0.0438 0.0438
Toxoplasma gondii aminopeptidase N protein 0.0212 0.0438 1
Trypanosoma cruzi aminopeptidase, putative 0.0212 0.0438 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0057 0.0046 0.0046
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Trypanosoma cruzi aminopeptidase, putative 0.0212 0.0438 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0452 0.1045 0.1045
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0077 0.0095 0.0095
Brugia malayi Pre-SET motif family protein 0.0119 0.0202 0.0445
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0046 0.0046
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0077 0.0095 0.0095
Schistosoma mansoni sodium/chloride dependent transporter 0.0077 0.0095 0.0095
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0004 0.0017
Trypanosoma brucei proteasome beta 6 subunit 0.0063 0.0061 0.1387
Loa Loa (eye worm) jmjC domain-containing protein 0.0214 0.0443 0.0443
Loa Loa (eye worm) TATA binding protein associated factor 0.0212 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0119 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0077 0.0095 0.0095
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0212 0.0438 1
Schistosoma mansoni hypothetical protein 0.052 0.1217 0.1217
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0212 0.0438 0.0438
Echinococcus multilocularis peregrin 0.0177 0.0349 0.0349
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0061 0.0061
Echinococcus multilocularis PHD finger protein rhinoceros 0.0177 0.0349 0.0349
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0063 0.0061 0.1387
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0063 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0058 0.0047 0.0047
Toxoplasma gondii PHD-finger domain-containing protein 0.0177 0.0349 0.7969
Schistosoma mansoni jumonji/arid domain-containing protein 0.0214 0.0443 0.0443
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0077 0.0095 0.021
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0119 0.0202 0.0202
Trypanosoma brucei Aminopeptidase M1, putative 0.0212 0.0438 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.0438 0.0438
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0057 0.0046 0.0046
Schistosoma mansoni hypothetical protein 0.0058 0.0047 0.0047
Echinococcus granulosus JmjC domain containing protein 4 0.0057 0.0046 0.0046
Brugia malayi jmjC domain containing protein 0.0057 0.0046 0.01
Schistosoma mansoni hypothetical protein 0.0063 0.0061 0.0061
Leishmania major proteasome beta 5 subunit, putative 0.0081 0.0107 0.2434
Trichomonas vaginalis set domain proteins, putative 0.0945 0.2292 1
Echinococcus granulosus chromobox protein 1 0.0067 0.0071 0.0071
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0058 0.0047 0.1084
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0115 0.0191 0.0191
Brugia malayi jmjC domain containing protein 0.0057 0.0046 0.01
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0212 0.0438 1
Loa Loa (eye worm) hypothetical protein 0.02 0.0408 0.0408
Loa Loa (eye worm) jmjC domain-containing protein 0.0365 0.0825 0.0825
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0071 0.0311
Brugia malayi Pre-SET motif family protein 0.0831 0.2002 0.4405
Trypanosoma brucei Aminopeptidase M1, putative 0.0212 0.0438 1
Giardia lamblia Proteasome subunit beta type 1 0.0063 0.0061 0.174
Schistosoma mansoni jumonji domain containing protein 0.0461 0.1066 0.1066
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.0506 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0063 0.0061 0.1387
Schistosoma mansoni phosphatidylserine receptor 0.0057 0.0046 0.0046
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0077 0.0095 0.0095
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0077 0.0095 0.0095
Plasmodium vivax JmjC domain containing protein 0.0057 0.0046 0.1042
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0059 0.0059
Schistosoma mansoni protein phosphatase 2C 0.0057 0.0046 0.0046
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0061 0.0061
Brugia malayi hypothetical protein 0.0212 0.0438 0.0963
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0077 0.0095 0.0095
Echinococcus multilocularis JmjC domain containing protein 4 0.0057 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0063 0.0061 0.0061
Entamoeba histolytica aminopeptidase, putative 0.0212 0.0438 1
Brugia malayi Peptidase family M1 containing protein 0.0212 0.0438 0.0963
Toxoplasma gondii hypothetical protein 0.0077 0.0095 0.2177
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0212 0.0438 1
Echinococcus multilocularis jumonji domain containing protein 0.0246 0.0524 0.0524
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0077 0.0095 0.0095
Echinococcus multilocularis serotonin transporter 0.0452 0.1045 0.1045
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0212 0.0438 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0077 0.0095 0.0095
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0831 0.2002 0.2002
Plasmodium falciparum proteasome subunit beta type-5 0.0081 0.0107 0.2434
Echinococcus multilocularis geminin 0.052 0.1217 0.1217
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0057 0.0046 0.0046
Giardia lamblia PHD finger protein 15 0.0177 0.0349 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0081 0.0107 0.2434
Brugia malayi proteasome subunit beta type 1 0.0063 0.0061 0.0134
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0057 0.0046 0.1042
Plasmodium falciparum JmjC domain-containing protein, putative 0.0057 0.0046 0.1042
Trypanosoma brucei aminopeptidase, putative 0.0212 0.0438 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0077 0.0095 0.0095
Echinococcus granulosus jumonji domain containing 1A 0.0057 0.0046 0.0046
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0077 0.0095 0.0095
Echinococcus multilocularis aminopeptidase N 0.0212 0.0438 0.0438
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0061 0.0135
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0119 0.0202 0.0202
Brugia malayi Peptidase family M1 containing protein 0.0212 0.0438 0.0963
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0057 0.0046 0.1042
Schistosoma mansoni sodium/chloride dependent transporter 0.0452 0.1045 0.1045
Brugia malayi TATA binding protein associated factor 0.0212 0.0438 0.0963
Echinococcus multilocularis proteasome (prosome, macropain) 0.0081 0.0107 0.0107
Echinococcus multilocularis jumonji domain containing 1A 0.0057 0.0046 0.0046
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0212 0.0438 0.191
Loa Loa (eye worm) hypothetical protein 0.0212 0.0438 0.0438
Schistosoma mansoni hypothetical protein 0.0177 0.0349 0.0349
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.058 0.1367 0.1367
Echinococcus granulosus geminin 0.052 0.1217 0.1217
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0057 0.0046 0.1042
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Loa Loa (eye worm) peptidase family M1 containing protein 0.0212 0.0438 0.0438
Brugia malayi MH2 domain containing protein 0.0124 0.0215 0.0474
Onchocerca volvulus 0.013 0.023 0.099
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0077 0.0095 0.0095
Loa Loa (eye worm) leukotriene A4 hydrolase 0.3993 1 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0177 0.0349 0.0349
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0212 0.0438 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0077 0.0095 0.0095
Schistosoma mansoni chromobox protein 0.0067 0.0071 0.0071
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0081 0.0107 0.0465
Echinococcus multilocularis GPCR, family 2 0.0063 0.0061 0.0061
Echinococcus granulosus chromobox protein 1 0.0067 0.0071 0.0071
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0119 0.0202 0.4625
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0212 0.0438 0.0438
Echinococcus multilocularis leukotriene A 4 hydrolase 0.3993 1 1
Onchocerca volvulus 0.0212 0.0438 0.1896
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.02 0.0408 0.0897
Echinococcus granulosus serotonin transporter 0.0452 0.1045 0.1045
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0077 0.0095 0.0095
Plasmodium falciparum amino acid transporter, putative 0.0077 0.0095 0.2177
Schistosoma mansoni hypothetical protein 0.052 0.1217 0.1217
Treponema pallidum sodium- and chloride- dependent transporter 0.0452 0.1045 0.5
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0081 0.0107 0.5
Brugia malayi Heterochromatin protein 1 0.0067 0.0071 0.0157
Schistosoma mansoni chromobox protein 0.0067 0.0071 0.0071
Brugia malayi hypothetical protein 0.0077 0.0095 0.021
Brugia malayi jmjC domain containing protein 0.058 0.1367 0.3009
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.0047 0.1084
Echinococcus multilocularis chromobox protein 1 0.0067 0.0071 0.0071
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0063 0.0061 0.0061
Onchocerca volvulus 0.0212 0.0438 0.1896
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0077 0.0095 0.0095
Echinococcus multilocularis chromobox protein 1 0.0067 0.0071 0.0071
Loa Loa (eye worm) norepinephrine transporter 0.0452 0.1045 0.1045
Loa Loa (eye worm) PHD-finger family protein 0.0177 0.0349 0.0349
Plasmodium vivax amine transporter, putative 0.0077 0.0095 0.2177
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.013 0.023 0.023
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0077 0.0095 0.0095
Echinococcus granulosus PHD finger protein rhinoceros 0.0177 0.0349 0.0349
Brugia malayi PHD-finger family protein 0.0177 0.0349 0.0768
Loa Loa (eye worm) hypothetical protein 0.0212 0.0438 0.0438
Onchocerca volvulus 0.0077 0.0095 0.04
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0081 0.0107 0.2434
Brugia malayi jmjC domain containing protein 0.0057 0.0046 0.01
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0063 0.0061 0.0265
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0081 0.0107 0.2434
Loa Loa (eye worm) hypothetical protein 0.0303 0.0669 0.0669
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0212 0.0438 1
Plasmodium falciparum transporter, putative 0.0077 0.0095 0.2177
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0046 0.0046
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0058 0.0047 0.1084
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0081 0.0107 0.2434
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0077 0.0095 0.2177
Leishmania major hypothetical protein, conserved 0.0057 0.0046 0.1042
Schistosoma mansoni hypothetical protein 0.0063 0.0061 0.0061
Loa Loa (eye worm) proteasome subunit beta type 1 0.0063 0.0061 0.0061
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0063 0.0061 0.1387
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0212 0.0438 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.0212 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0057 0.0046 0.0046
Onchocerca volvulus 0.0945 0.2292 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0095 0.0095
Echinococcus granulosus peregrin 0.0177 0.0349 0.0349
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0077 0.0095 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0077 0.0095 0.0095
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0077 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0077 0.0095 0.0095
Schistosoma mansoni hypothetical protein 0.0063 0.0061 0.0061
Toxoplasma gondii aminopeptidase N, putative 0.0212 0.0438 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0212 0.0438 1
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0071 0.0311
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0063 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0177 0.0349 0.0349
Echinococcus granulosus histone lysine methyltransferase setb 0.0119 0.0202 0.0202
Onchocerca volvulus Alhambra homolog 0.0177 0.0349 0.1508
Brugia malayi hypothetical protein 0.0212 0.0438 0.0963
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0063 0.0061 0.1387
Echinococcus granulosus GPCR family 2 0.0063 0.0061 0.0061
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0058 0.0047 0.1084
Loa Loa (eye worm) solute carrier family 6 member 4 0.0452 0.1045 0.1045
Brugia malayi AF-10 protein 0.0058 0.0047 0.0104
Toxoplasma gondii PHD-finger domain-containing protein 0.0177 0.0349 0.7969
Loa Loa (eye worm) hypothetical protein 0.0077 0.0095 0.0095
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0212 0.0438 1
Loa Loa (eye worm) hypothetical protein 0.0452 0.1045 0.1045
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0212 0.0438 0.0438
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.0215 0.0215
Schistosoma mansoni jumonji/arid domain-containing protein 0.0214 0.0443 0.0443
Schistosoma mansoni sodium/chloride dependent transporter 0.0077 0.0095 0.0095
Plasmodium vivax hypothetical protein, conserved 0.0177 0.0349 0.7969
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0077 0.0095 0.0095
Brugia malayi PHD-finger family protein 0.0058 0.0047 0.0104
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0081 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0452 0.1045 0.1045
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0212 0.0438 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.0202 0.0202
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0212 0.0438 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0212 0.0438 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0077 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0077 0.0095 0.0095
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0212 0.0438 0.191
Echinococcus granulosus lysine specific demethylase 6a 0.0057 0.0046 0.0046
Plasmodium vivax SET domain protein, putative 0.0119 0.0202 0.4625
Echinococcus multilocularis lysine specific demethylase 5A 0.0214 0.0443 0.0443
Schistosoma mansoni sodium-dependent amino acid transporter 0.0077 0.0095 0.0095
Brugia malayi Proteasome A-type and B-type family protein 0.0081 0.0107 0.0234
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.058 0.1367 0.1367
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0081 0.0107 0.0107
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0212 0.0438 0.191
Echinococcus granulosus lysine specific demethylase 5A 0.0214 0.0443 0.0443
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.0247 0.0544
Brugia malayi hypothetical protein 0.1836 0.4544 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0212 0.0438 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0077 0.0095 0.0095
Toxoplasma gondii hypothetical protein 0.0077 0.0095 0.2177
Echinococcus granulosus proteasome prosome macropain 0.0081 0.0107 0.0107
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0063 0.0061 0.1387
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0077 0.0095 0.021
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0057 0.0046 0.1042
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0046 0.0046
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0061 0.0061
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0004 0.0017
Echinococcus granulosus phd:f box containing protein 0.0057 0.0046 0.0046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.0202 0.0202
Echinococcus granulosus sodium and chloride dependent glycine 0.0077 0.0095 0.0095
Onchocerca volvulus 0.0452 0.1045 0.455
Echinococcus granulosus aminopeptidase N 0.0212 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0137 0.0247 0.0247
Mycobacterium ulcerans aminopeptidase N PepN 0.0212 0.0438 1
Loa Loa (eye worm) aminopeptidase N 0.0212 0.0438 0.0438
Trypanosoma cruzi Aminopeptidase M1, putative 0.0212 0.0438 1
Schistosoma mansoni hypothetical protein 0.0137 0.0247 0.0247
Brugia malayi Calcitonin receptor-like protein seb-1 0.02 0.0408 0.0897

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.153 uM Inhibitory activity was evaluated against ET- A Binding to Endothelin A receptor in MMQ cell homogenates ChEMBL. 8632420
IC50 (binding) = 0.153 uM Inhibitory activity was evaluated against ET- A Binding to Endothelin A receptor in MMQ cell homogenates ChEMBL. 8632420
IC50 (binding) > 100 uM Inhibitory activity was evaluated against ET- B Binding to Endothelin B receptor from porcine cerebellar membranes ChEMBL. 8632420
IC50 (binding) > 100 uM Inhibitory activity was evaluated against ET- B Binding to Endothelin B receptor from porcine cerebellar membranes ChEMBL. 8632420

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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