Detailed information for compound 333360

Basic information

Technical information
  • TDR Targets ID: 333360
  • Name: (2S)-2-[[2-[[2-[acetyl(butyl)amino]acetyl]ami no]acetyl]amino]-6-amino-N-[(2R)-1-[[2-[[2-[( 2-amino-2-oxoethyl)amino]-2-oxoethyl]-(1H-ind ol-3-ylmethyl)amino]-2-oxoethyl]-[3-(diaminom ethylideneamino)propyl]amino]-1-oxo-3-phenylp ropan-2-yl]hexanamide
  • MW: 904.069 | Formula: C44H65N13O8
  • H donors: 9 H acceptors: 8 LogP: -1.06 Rotable bonds: 36
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCC[C@@H](C(=O)N[C@@H](C(=O)N(CC(=O)N(Cc1c[nH]c2c1cccc2)CC(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccccc1)NC(=O)CNC(=O)CN(C(=O)C)CCCC
  • InChi: 1S/C44H65N13O8/c1-3-4-20-55(30(2)58)27-39(61)52-25-38(60)53-35(17-10-11-18-45)42(64)54-36(22-31-13-6-5-7-14-31)43(65)56(21-12-19-49-44(47)48)29-41(63)57(28-40(62)51-24-37(46)59)26-32-23-50-34-16-9-8-15-33(32)34/h5-9,13-16,23,35-36,50H,3-4,10-12,17-22,24-29,45H2,1-2H3,(H2,46,59)(H,51,62)(H,52,61)(H,53,60)(H,54,64)(H4,47,48,49)/t35-,36+/m0/s1
  • InChiKey: YFRQSEJYHOCRNR-MPQUPPDSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-[[2-[[2-[acetyl(butyl)amino]acetyl]amino]acetyl]amino]-6-amino-N-[(1R)-2-[[2-[[2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]-(1H-indol-3-ylmethyl)amino]-2-oxo-ethyl]-(3-guanidinopropyl)amino]-1-benzyl-2-oxo-ethyl]hexanamide
  • (2S)-2-[[2-[[2-[acetyl(butyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-6-amino-N-[(1R)-2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-(1H-indol-3-ylmethyl)amino]-2-oxoethyl]-(3-guanidinopropyl)amino]-1-benzyl-2-oxoethyl]hexanamide
  • (2S)-6-azanyl-N-[(2R)-1-[[2-[[2-[(2-azanyl-2-oxo-ethyl)amino]-2-oxo-ethyl]-(1H-indol-3-ylmethyl)amino]-2-oxo-ethyl]-[3-[bis(azanyl)methylideneamino]propyl]amino]-1-oxo-3-phenyl-propan-2-yl]-2-[2-[2-[butyl(ethanoyl)amino]ethanoylamino]ethanoylamino]hexanamide
  • (2S)-2-[[2-[[2-[acetyl(butyl)amino]acetyl]amino]acetyl]amino]-6-amino-N-[(1R)-2-[[2-[[2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl]-(1H-indol-3-ylmethyl)amino]-2-keto-ethyl]-(3-guanidinopropyl)amino]-1-benzyl-2-keto-ethyl]hexanamide
  • (2S)-2-[[2-[[2-(acetyl-butylamino)acetyl]amino]acetyl]amino]-6-amino-N-[(2R)-1-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-(1H-indol-3-ylmethyl)amino]-2-oxoethyl]-[3-(diaminomethylideneamino)propyl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
  • (2S)-2-[[2-[[2-(acetyl-butyl-amino)acetyl]amino]acetyl]amino]-6-amino-N-[(1R)-2-[[2-[[2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]-(1H-indol-3-ylmethyl)amino]-2-oxo-ethyl]-(3-guanidinopropyl)amino]-2-oxo-1-(phenylmethyl)ethyl]hexanamide
  • (2S)-2-[[2-[[2-(acetyl-butylamino)-1-oxoethyl]amino]-1-oxoethyl]amino]-6-amino-N-[(1R)-2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-(1H-indol-3-ylmethyl)amino]-2-oxoethyl]-(3-guanidinopropyl)amino]-2-oxo-1-(phenylmethyl)ethyl]hexanamide
  • (2S)-2-[[2-[[2-(acetyl-butyl-amino)acetyl]amino]acetyl]amino]-6-amino-N-[(1R)-2-[[2-[[2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl]-(1H-indol-3-ylmethyl)amino]-2-keto-ethyl]-(3-guanidinopropyl)amino]-1-(benzyl)-2-keto-ethyl]hexanamide
  • (2S)-6-amino-N-[(2R)-1-[[2-[[2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]-(1H-indol-3-ylmethyl)amino]-2-oxo-ethyl]-[3-(diaminomethylideneamino)propyl]amino]-1-oxo-3-phenyl-propan-2-yl]-2-[2-[2-(butyl-ethanoyl-amino)ethanoylamino]ethanoylamino]hexanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens melanocortin 3 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 4 receptor Starlite/ChEMBL References
Mus musculus melanocortin 5 receptor 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
Brugia malayi hypothetical protein melanocortin 5 receptor 372 aa 314 aa 21.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.047 0.3644
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0079 0.0306 0.0306
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0079 0.0306 0.0306
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.047 0.3644
Brugia malayi Cathepsin L-like precursor 0.0156 0.129 0.129
Onchocerca volvulus 0.0156 0.129 1
Trypanosoma brucei calpain-like protein, putative 0.0079 0.0306 0.1011
Giardia lamblia Cathepsin B precursor 0.0292 0.3031 0.5
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0079 0.0306 0.0306
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0156 0.129 0.3201
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0156 0.129 0.1015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Trypanosoma brucei calpain-like protein, putative 0.0079 0.0306 0.1011
Loa Loa (eye worm) hypothetical protein 0.0155 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0113 0.0731 0.0731
Onchocerca volvulus 0.0156 0.129 1
Entamoeba histolytica cysteine proteinase, putative 0.0156 0.129 1
Giardia lamblia Cathepsin B precursor 0.0292 0.3031 0.5
Leishmania major cathepsin L-like protease 0.0156 0.129 0.4255
Loa Loa (eye worm) hypothetical protein 0.0211 0.1989 0.1989
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0156 0.129 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.129 0.129
Loa Loa (eye worm) hypothetical protein 0.0187 0.1683 0.1683
Brugia malayi Cathepsin L-like precursor 0.0156 0.129 0.129
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Schistosoma mansoni cathepsin F (C01 family) 0.0156 0.129 0.1015
Brugia malayi Papain family cysteine protease containing protein 0.0156 0.129 0.129
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0211 0.1989 0.1736
Trypanosoma cruzi cysteine proteinase, putative 0.0092 0.047 0.047
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Plasmodium vivax vivapain-2 0.0156 0.129 1
Loa Loa (eye worm) calpain family protein 1 0.0211 0.1989 0.1989
Echinococcus multilocularis cysteine protease 0.0156 0.129 0.1015
Onchocerca volvulus Cathepsin L homolog 0.0156 0.129 1
Echinococcus multilocularis cysteine protease 0.0156 0.129 0.1015
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0079 0.0306 0.0306
Leishmania major cathepsin L-like protease 0.0156 0.129 0.4255
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0079 0.0306 0.1011
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0156 0.129 0.3201
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0079 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0131 0.097 0.097
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Brugia malayi Cathepsin L-like precursor 0.0156 0.129 0.129
Entamoeba histolytica cysteine proteinase 2 0.0092 0.047 0.3644
Loa Loa (eye worm) ctsf protein 0.0156 0.129 0.129
Loa Loa (eye worm) cysteine protease 0.0156 0.129 0.129
Trypanosoma cruzi cysteine peptidase, putative 0.0156 0.129 0.129
Trypanosoma cruzi cysteine peptidase, putative 0.0156 0.129 0.129
Trypanosoma cruzi cysteine proteinase, putative 0.0092 0.047 0.047
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0156 0.129 0.129
Plasmodium vivax unspecified product 0.0092 0.047 0.1664
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0079 0.0306 0.0306
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Toxoplasma gondii cathepsin B 0.0292 0.3031 1
Plasmodium vivax vivapain-2 0.0156 0.129 1
Leishmania major cathepsin L-like protease 0.0156 0.129 0.4255
Echinococcus multilocularis cathepsin L cysteine protease 0.0156 0.129 0.1015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Brugia malayi calpain 7 0.0079 0.0306 0.0306
Loa Loa (eye worm) calpain 0.0079 0.0306 0.0306
Loa Loa (eye worm) calpain family protein 1 0.0155 0.1276 0.1276
Plasmodium vivax vivapain-1 0.0092 0.047 0.1664
Brugia malayi calpain family protein 1 0.0211 0.1989 0.1989
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Entamoeba histolytica cysteine proteinase, putative 0.0156 0.129 1
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Onchocerca volvulus 0.0156 0.129 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0156 0.129 0.3201
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0156 0.129 0.3201
Echinococcus multilocularis cathepsin b 0.0835 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0092 0.047 0.047
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0079 0.0306 0.1011
Echinococcus multilocularis calpain A 0.022 0.2112 0.1862
Echinococcus granulosus cathepsin b 0.0835 1 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0292 0.3031 1
Brugia malayi Cathepsin L-like precursor 0.0156 0.129 0.129
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0092 0.047 0.047
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0092 0.047 0.0169
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.022 0.2112 0.1862
Echinococcus multilocularis cathepsin L 0.0092 0.047 0.0169
Echinococcus granulosus cathepsin l cysteine peptidase 0.0156 0.129 0.1015
Trypanosoma cruzi cysteine peptidase, putative 0.0156 0.129 0.129
Entamoeba histolytica cysteine protease, putative 0.0156 0.129 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0113 0.0731 0.1018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Trypanosoma brucei calpain-like protein, putative 0.0079 0.0306 0.1011
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0292 0.3031 0.2811
Plasmodium falciparum cysteine proteinase falcipain 3 0.0156 0.129 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0092 0.047 0.0169
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.047 0.3644
Echinococcus multilocularis cathepsin b 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0731 0.0731
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0113 0.0731 0.1018
Echinococcus granulosus cathepsin b 0.0835 1 1
Echinococcus granulosus cathepsin L 0.0092 0.047 0.0169
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.022 0.2112 0.1862
Giardia lamblia Cathepsin B precursor 0.0292 0.3031 0.5
Onchocerca volvulus 0.0131 0.097 0.4277
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0156 0.129 0.3201
Plasmodium vivax vivapain-3 0.0092 0.047 0.1664
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0292 0.3031 0.3031
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0156 0.129 1
Echinococcus multilocularis calpain family protein 1, d 0.0155 0.1276 0.1001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Echinococcus granulosus calpain A 0.022 0.2112 0.1862
Echinococcus multilocularis cathepsin L cysteine protease 0.0156 0.129 0.1015
Echinococcus granulosus cathepsin L cysteine protease 0.0092 0.047 0.0169
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Onchocerca volvulus Cathepsin L homolog 0.0156 0.129 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0156 0.129 0.3201
Schistosoma mansoni cathepsin F (C01 family) 0.0156 0.129 0.1015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0092 0.047 0.047
Trypanosoma cruzi cysteine peptidase, putative 0.0156 0.129 0.129
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Leishmania major cysteine peptidase A (CPA) 0.0156 0.129 0.4255
Echinococcus granulosus cathepsin L cysteine proteinase 0.0156 0.129 0.1015
Leishmania major cathepsin L-like protease 0.0156 0.129 0.4255
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0835 1 1
Echinococcus granulosus cathepsin l1 0.0113 0.0731 0.0438
Echinococcus granulosus cysteine protease 0.0092 0.047 0.0169
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Trypanosoma brucei calpain-like protein, putative 0.0079 0.0306 0.1011
Leishmania major cathepsin L-like protease 0.0156 0.129 0.4255
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0292 0.3031 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.022 0.2112 0.1862
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0079 0.0306 0.1011
Trypanosoma brucei antigen, putative 0.0079 0.0306 0.1011
Brugia malayi Papain family cysteine protease containing protein 0.0092 0.047 0.047
Entamoeba histolytica cysteine proteinase 1, putative 0.0092 0.047 0.3644
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Onchocerca volvulus Cathepsin F homolog 0.0156 0.129 1
Leishmania major cathepsin L-like protease 0.0156 0.129 0.4255
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Schistosoma mansoni cathepsin F (C01 family) 0.0113 0.0731 0.0438
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Loa Loa (eye worm) cathepsin B 0.0292 0.3031 0.3031
Entamoeba histolytica cysteine proteinase, putative 0.0113 0.0731 0.5667
Loa Loa (eye worm) fibroinase 0.0156 0.129 0.129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0156 0.129 0.3201
Brugia malayi Cathepsin L-like precursor 0.0113 0.0731 0.0731
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.047 0.3644
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0156 0.129 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Echinococcus granulosus cathepsin l1 0.0156 0.129 0.1015
Onchocerca volvulus 0.0156 0.129 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0079 0.0306 0.0306
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0079 0.0306 0.1011
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0156 0.129 0.129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Brugia malayi cathepsin L-like precursor 0.0113 0.0731 0.0731
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0156 0.129 0.4255
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0156 0.129 0.3201
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0292 0.3031 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0113 0.0731 0.0731
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0079 0.0306 0.0306
Onchocerca volvulus 0.0156 0.129 1
Onchocerca volvulus 0.0156 0.129 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0079 0.0306 0.1011
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0835 1 1
Leishmania major cathepsin L-like protease 0.0156 0.129 0.4255
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0156 0.129 0.3201
Brugia malayi calpain family protein 1 0.0211 0.1989 0.1989
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0092 0.047 0.0169
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0079 0.0306 0.0306
Trypanosoma cruzi cruzipain precursor, putative 0.0156 0.129 0.129
Loa Loa (eye worm) hypothetical protein 0.0113 0.0731 0.0731
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0156 0.129 0.3201
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0835 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0092 0.047 0.1551
Leishmania major cathepsin L-like protease 0.0156 0.129 0.4255
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0156 0.129 0.3201
Brugia malayi Cathepsin L-like precursor 0.0113 0.0731 0.0731
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.022 0.2112 0.1862
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0156 0.129 0.1015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0092 0.047 0.1551
Onchocerca volvulus 0.0156 0.129 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0835 1 1
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0079 0.0306 0.0306
Entamoeba histolytica cysteine protease, putative 0.0092 0.047 0.3644
Brugia malayi Cathepsin L-like precursor 0.0156 0.129 0.129
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0835 1 1
Brugia malayi Cathepsin L-like precursor 0.0156 0.129 0.129
Loa Loa (eye worm) hypothetical protein 0.0835 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0113 0.0731 0.0731
Trypanosoma cruzi cysteine protease, putative 0.0092 0.047 0.047

Activities

Activity type Activity value Assay description Source Reference
-Log EC50 (binding) = 6.3 M Effective concentration against human melanocortin receptor-4 expressed in 293 HEK cells ChEMBL. 15974575
-Log IC50 (binding) = 5.1 M Displacement of [125I]-NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells ChEMBL. 15974575
-Log IC50 (binding) = 5.5 M Displacement of [125I]-NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells ChEMBL. 15974575
-Log IC50 (binding) = 6.1 M Displacement of [125I]-NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells ChEMBL. 15974575
EC50 (binding) = 6.3 Effective concentration against human melanocortin receptor-4 expressed in 293 HEK cells ChEMBL. 15974575
IC50 (binding) = 5.1 Displacement of [125I]-NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells ChEMBL. 15974575
IC50 (binding) = 5.5 Displacement of [125I]-NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells ChEMBL. 15974575
IC50 (binding) = 6.1 Displacement of [125I]-NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells ChEMBL. 15974575

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.