Detailed information for compound 403535

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1213.34 | Formula: C55H84N14O17
  • H donors: 15 H acceptors: 17 LogP: -4.61 Rotable bonds: 50
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCCCCCCC(=O)OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)N)Cc1nc[nH]c1)CCC(=O)O)CO)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)CO
  • InChi: 1S/C55H84N14O17/c1-4-5-6-7-11-16-46(76)86-29-41(68-52(82)39(27-70)61-44(73)25-56)53(83)65-37(23-32-13-9-8-10-14-32)50(80)64-36(22-31(2)3)49(79)67-40(28-71)55(85)69-21-12-15-42(69)54(84)63-35(18-20-45(74)75)48(78)66-38(24-33-26-59-30-60-33)51(81)62-34(47(58)77)17-19-43(57)72/h8-10,13-14,26,30-31,34-42,70-71H,4-7,11-12,15-25,27-29,56H2,1-3H3,(H2,57,72)(H2,58,77)(H,59,60)(H,61,73)(H,62,81)(H,63,84)(H,64,80)(H,65,83)(H,66,78)(H,67,79)(H,68,82)(H,74,75)/t34-,35-,36-,37-,38-,39-,40-,41-,42+/m0/s1
  • InChiKey: IOAHTRURPQSGFQ-VIHQADHSSA-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
Homo sapiens growth hormone secretagogue 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
Schistosoma mansoni rhodopsin-like orphan GPCR growth hormone secretagogue receptor 289 aa 243 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.004 0.0331 0.0267
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Echinococcus multilocularis Immunoglobulin 0.004 0.0331 0.0361
Loa Loa (eye worm) hypothetical protein 0.0063 0.07 0.0638
Echinococcus granulosus serine:threonine protein kinase N2 0.0027 0.0125 0.0121
Echinococcus multilocularis casein kinase ii subunit beta 0.0153 0.2122 0.2444
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0879 0.0998
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0066 0.0045
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0045 0.0405 0.0447
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0186 0.2646 0.2598
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1374 0.1574
Schistosoma mansoni cell adhesion molecule 0.0023 0.0066 0.0076
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0027 0.0125 0.0121
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0048 0.0461 0.0512
Echinococcus granulosus lachesin 0.0023 0.0066 0.0052
Schistosoma mansoni Neurotrimin precursor (hNT) 0.004 0.0331 0.0384
Echinococcus granulosus Protein kinase C brain isozyme 0.0027 0.0125 0.0121
Schistosoma mansoni cell adhesion molecule 0.0023 0.0066 0.0076
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0153 0.2122 0.1606
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Echinococcus multilocularis roundabout 2 0.0023 0.0066 0.0052
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0066 0.0045
Loa Loa (eye worm) AGC/AKT protein kinase 0.0074 0.0879 0.0819
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1374 0.1574
Echinococcus multilocularis roundabout 2 0.0023 0.0066 0.0052
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Entamoeba histolytica protein kinase, putative 0.0027 0.0125 0.0121
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.0125 0.0145
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Trichomonas vaginalis CMGC family protein kinase 0.0561 0.8616 1
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0045 0.0405 0.0447
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0066 0.0045
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.0125 0.0145
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0066 0.0045
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0153 0.2122 0.2444
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0649 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0106 0.1374 0.1356
Giardia lamblia Kinase, PLK 0.0106 0.1374 0.1574
Schistosoma mansoni serine/threonine-protein kinase 0.0052 0.0529 0.0615
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0023 0.0066 0.0052
Echinococcus granulosus tyrosine protein kinase otk 0.0023 0.0066 0.0052
Entamoeba histolytica protein kinase, putative 0.0025 0.009 0.008
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0027 0.0125 0.0121
Entamoeba histolytica protein kinase, putative 0.0025 0.009 0.008
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0561 0.8616 0.8607
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0125 0.0121
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0561 0.8616 1
Echinococcus granulosus protein kinase c iota type 0.0027 0.0125 0.0121
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.0125 0.0145
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0028 0.0144 0.0079
Schistosoma mansoni protein kinase 0.002 0.0021 0.0025
Echinococcus granulosus serine/threonine protein kinase 0.0052 0.0529 0.0591
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1374 0.1574
Schistosoma mansoni roundabout 0.0023 0.0066 0.0076
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0106 0.1374 0.1317
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.0125 0.0145
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0153 0.2122 0.2221
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0045 0.0405 0.0447
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0023 0.0066 0.0052
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.004 0.0331 0.0384
Echinococcus multilocularis nervana 2 0.0043 0.0382 0.042
Loa Loa (eye worm) AGC/PKN protein kinase 0.0027 0.0125 0.006
Echinococcus granulosus casein kinase ii subunit beta 0.0153 0.2122 0.2444
Onchocerca volvulus Serine\/threonine kinase homolog 0.0106 0.1374 0.1414
Echinococcus granulosus Glutaredoxin protein 5 0.0043 0.0382 0.042
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0027 0.0125 0.006
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0023 0.0066 0.0076
Trichomonas vaginalis AGC family protein kinase 0.0031 0.0194 0.0201
Plasmodium vivax casein kinase II beta chain, putative 0.0153 0.2122 0.2036
Echinococcus granulosus hemicentin 1 0.0023 0.0066 0.0052
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Echinococcus multilocularis hemicentin 1 0.0023 0.0066 0.0052
Loa Loa (eye worm) AGC/NDR protein kinase 0.0027 0.0125 0.006
Entamoeba histolytica protein kinase, putative 0.0074 0.0879 0.0998
Echinococcus granulosus casein kinase ii subunit alpha 0.0561 0.8616 1
Schistosoma mansoni vesicular amine transporter 0.004 0.0331 0.0384
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0066 0.0045
Brugia malayi serine/threonine-protein kinase PAK 7 0.0186 0.2646 0.2631
Entamoeba histolytica protein kinase, putative 0.0074 0.0879 0.0998
Brugia malayi Protein kinase domain containing protein 0.0027 0.0125 0.0104
Loa Loa (eye worm) hypothetical protein 0.0053 0.0538 0.0475
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0023 0.0066 0.0052
Brugia malayi Fibronectin type III domain containing protein 0.004 0.0331 0.031
Echinococcus multilocularis serine threonine protein kinase 0.0027 0.0125 0.0121
Trichomonas vaginalis CMGC family protein kinase 0.0561 0.8616 1
Echinococcus granulosus defective proboscis extension response 0.004 0.0331 0.0361
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0106 0.1374 0.1574
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0879 0.0998
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Echinococcus multilocularis peroxidasin 0.0023 0.0066 0.0052
Schistosoma mansoni kinase 0.0056 0.0586 0.068
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0879 0.0998
Echinococcus multilocularis serine:threonine protein kinase N2 0.0027 0.0125 0.0121
Echinococcus multilocularis serine:threonine protein kinase N2 0.0027 0.0125 0.0121
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0066 0.0045
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.1374 0.112
Echinococcus granulosus peroxidasin 0.0023 0.0066 0.0052
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1374 0.1574
Schistosoma mansoni nephrin 0.0023 0.0066 0.0076
Leishmania major casein kinase II, putative 0.0561 0.8616 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.1374 0.112
Echinococcus multilocularis lachesin 0.0023 0.0066 0.0052
Schistosoma mansoni casein kinase II beta subunit 0.0153 0.2122 0.2462
Plasmodium vivax unspecified product 0.0561 0.8616 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0331 0.0267
Echinococcus granulosus neuroglian 0.0023 0.0066 0.0052
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0879 0.0998
Echinococcus granulosus roundabout 2 0.0063 0.07 0.0789
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1374 0.1574
Schistosoma mansoni serine/threonine-protein kinase 0.0052 0.0529 0.0615
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0153 0.2122 0.2036
Entamoeba histolytica PH domain containing protein kinase, putative 0.0052 0.0529 0.0591
Echinococcus granulosus twitchin 0.0055 0.0572 0.0641
Echinococcus multilocularis protein kinase c epsilon type 0.0027 0.0125 0.0121
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0066 0.0045
Trichomonas vaginalis CMGC family protein kinase 0.0561 0.8616 1
Plasmodium falciparum casein kinase II beta chain 0.0153 0.2122 0.2036
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0125 0.0121
Brugia malayi Protein kinase domain containing protein 0.0074 0.0879 0.086
Brugia malayi hypothetical protein 0.004 0.0331 0.031
Loa Loa (eye worm) Csnk2b protein 0.0153 0.2122 0.2069
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.007 0.081 0.075
Echinococcus multilocularis casein kinase ii subunit alpha 0.0561 0.8616 1
Schistosoma mansoni nephrin 0.005 0.0493 0.0572
Schistosoma mansoni septate junction protein 0.0023 0.0066 0.0076
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0027 0.0125 0.0121
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Plasmodium vivax casein kinase II beta chain, putative 0.0153 0.2122 0.2036
Entamoeba histolytica p21-activated kinase 0.0025 0.009 0.008
Entamoeba histolytica protein kinase, putative 0.007 0.081 0.0918
Echinococcus multilocularis protein kinase c iota type 0.0027 0.0125 0.0121
Echinococcus granulosus contactin 0.0023 0.0066 0.0052
Trichomonas vaginalis CMGC family protein kinase 0.0561 0.8616 1
Trypanosoma brucei Casein kinase II 0.0561 0.8616 1
Echinococcus multilocularis nervana 2 0.0043 0.0382 0.042
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0023 0.0066 0.0052
Brugia malayi protein kinase C II. 0.0027 0.0125 0.0104
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0053 0.0538 0.0601
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0066 0.0045
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0027 0.0125 0.006
Echinococcus granulosus nervana 2 0.0043 0.0382 0.042
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0153 0.2122 0.2444
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0153 0.2122 0.1032
Brugia malayi p70 ribosomal S6 kinase beta 0.007 0.081 0.0791
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0879 0.0998
Trichomonas vaginalis CMGC family protein kinase 0.0561 0.8616 1
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0564 0.0632
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0564 0.0632
Echinococcus granulosus serine threonine protein kinase nrc 0.0048 0.0461 0.0512
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0879 0.0998
Schistosoma mansoni cell adhesion molecule 0.0023 0.0066 0.0076
Brugia malayi Peroxidasin 0.0023 0.0066 0.0045
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0023 0.0066 0.0076
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.1374 0.1595
Giardia lamblia Kinase, AGC PKA 0.0048 0.0461 0.0512
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0023 0.0066 0.0052
Echinococcus granulosus protein kinase c epsilon type 0.0027 0.0125 0.0121
Echinococcus multilocularis rac serine:threonine kinase 0.0052 0.0529 0.0591
Onchocerca volvulus 0.0592 0.9102 0.9763
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Entamoeba histolytica serine/threonine protein kinase, putative 0.0106 0.1374 0.1574
Echinococcus granulosus roundabout 2 0.0023 0.0066 0.0052
Giardia lamblia Kinase, CMGC CK2 0.0561 0.8616 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0043 0.0382 0.042
Loa Loa (eye worm) hypothetical protein 0.0027 0.0125 0.006
Entamoeba histolytica PH domain containing protein kinase, putative 0.0052 0.0529 0.0591
Loa Loa (eye worm) casein kinase II 0.0045 0.0405 0.0342
Trypanosoma cruzi casein kinase II, putative 0.0561 0.8616 1
Toxoplasma gondii CMGC kinase, CK2 family 0.0561 0.8616 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0106 0.1374 0.1574
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0153 0.2122 0.168
Echinococcus granulosus nervana 2 0.0043 0.0382 0.042
Echinococcus multilocularis serine:threonine protein kinase 38 0.0027 0.0125 0.0121
Trypanosoma brucei polo-like protein kinase 0.0106 0.1374 0.064
Echinococcus multilocularis roundabout 2 0.0063 0.07 0.0789
Trichomonas vaginalis CMGC family protein kinase 0.0561 0.8616 1
Brugia malayi Prion-like- 0.0023 0.0066 0.0045
Entamoeba histolytica protein kinase 2, putative 0.0048 0.0461 0.0512
Echinococcus multilocularis basement membrane specific heparan sulfate 0.004 0.0331 0.0361
Schistosoma mansoni titin 0.0023 0.0066 0.0076
Trichomonas vaginalis AGC family protein kinase 0.0074 0.0879 0.0998
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1374 0.1574
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0027 0.0125 0.006
Echinococcus multilocularis neuroglian 0.005 0.0493 0.0549
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0052 0.0529 0.0084
Echinococcus multilocularis Immunoglobulin 0.004 0.0331 0.0361
Echinococcus granulosus roundabout 2 0.0023 0.0066 0.0052
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0027 0.0125 0.0121
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1374 0.1574
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.017 0.2401 0.2769
Schistosoma mansoni atypical protein kinase C 0.0027 0.0125 0.0145
Loa Loa (eye worm) hypothetical protein 0.0063 0.07 0.0638
Entamoeba histolytica casein kinase, putative 0.0561 0.8616 1
Plasmodium falciparum casein kinase 2, alpha subunit 0.0561 0.8616 1
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.0125 0.0145
Echinococcus multilocularis hemicentin 1 0.0023 0.0066 0.0052
Echinococcus granulosus neuroglian 0.005 0.0493 0.0549
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0045 0.0405 0.0447
Echinococcus multilocularis tyrosine protein kinase otk 0.0023 0.0066 0.0052
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0153 0.2122 0.2036
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0125 0.0121
Giardia lamblia Casein kinase II beta chain 0.0045 0.0405 0.0447
Toxoplasma gondii ck2 beta subunit 0.0153 0.2122 0.168
Echinococcus multilocularis neuroglian 0.0023 0.0066 0.0052
Brugia malayi Hr1 repeat family protein 0.0027 0.0125 0.0104
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0027 0.0125 0.0121
Echinococcus granulosus Immunoglobulin 0.004 0.0331 0.0361
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.0125 0.0145
Brugia malayi Protein kinase domain containing protein 0.0027 0.0125 0.0104
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0023 0.0066 0.0052
Echinococcus granulosus protein kinase C gamma type 0.0027 0.0125 0.0121
Schistosoma mansoni protein kinase 0.002 0.0021 0.0025
Schistosoma mansoni protein kinase 0.002 0.0021 0.0025
Echinococcus granulosus NDR protein kinase 0.0027 0.0125 0.0121
Echinococcus multilocularis Glutaredoxin protein 5 0.0043 0.0382 0.042
Brugia malayi Casein kinase II, alpha chain 0.0561 0.8616 0.8613
Entamoeba histolytica protein kinase domain containing protein 0.0561 0.8616 1
Schistosoma mansoni cell adhesion molecule 0.0053 0.0538 0.0624
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0153 0.2122 0.2444
Trichomonas vaginalis casein kinase II beta chain, putative 0.0153 0.2122 0.2444
Trypanosoma cruzi Protein kinase B 0.0052 0.0529 0.0084
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0048 0.0461 0.0512
Loa Loa (eye worm) hypothetical protein 0.004 0.0331 0.0267
Schistosoma mansoni serine/threonine protein kinase 0.0027 0.0125 0.0145
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0043 0.0382 0.042
Brugia malayi Immunoglobulin I-set domain containing protein 0.004 0.0331 0.031
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Brugia malayi Csnk2b protein 0.0153 0.2122 0.2105
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0027 0.0125 0.0121
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0153 0.2122 0.2221
Schistosoma mansoni serine/threonine kinase 0.0027 0.0125 0.0145
Giardia lamblia Casein kinase II beta chain 0.0153 0.2122 0.2444
Schistosoma mansoni tyrosine kinase 0.0027 0.0123 0.0143
Schistosoma mansoni septate junction protein 0.0023 0.0066 0.0076
Schistosoma mansoni neuroglian 0.0023 0.0066 0.0076
Trichomonas vaginalis CMGC family protein kinase 0.0561 0.8616 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0027 0.0125 0.0121
Schistosoma mansoni protein kinase 0.0561 0.8616 1
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.017 0.2401 0.2769
Loa Loa (eye worm) hypothetical protein 0.004 0.0331 0.0267
Onchocerca volvulus Tyrosine kinase homolog 0.0606 0.9321 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0027 0.0125 0.006
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0022 0.0046 0.0029
Loa Loa (eye worm) hypothetical protein 0.004 0.0331 0.0267
Brugia malayi Immunoglobulin I-set domain containing protein 0.0023 0.0066 0.0045
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Trichomonas vaginalis casein kinase II beta chain, putative 0.0045 0.0405 0.0447
Loa Loa (eye worm) hypothetical protein 0.004 0.0331 0.0267
Plasmodium falciparum casein kinase II beta chain 0.0153 0.2122 0.2036
Brugia malayi casein kinase II, putaitve 0.0045 0.0405 0.0385

Activities

Activity type Activity value Assay description Source Reference
Activation (functional) = 89 % Percent activation at 10 uM relative to ghrelin to measure intracellular calcium elevation in HEK-293 cells ChEMBL. 11087562
Activation (functional) = 89 % Percent activation at 10 uM relative to ghrelin to measure intracellular calcium elevation in HEK-293 cells ChEMBL. 11087562
EC50 (functional) = 20 nM Effective dose measuring intracellular calcium elevation in HEK-293 cells ChEMBL. 11087562
EC50 (functional) = 20 nM Effective dose measuring intracellular calcium elevation in HEK-293 cells ChEMBL. 11087562
IC50 (binding) = 7.1 nM Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled ligand ChEMBL. 11087562
IC50 (binding) = 7.1 nM Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]-MK-0677 as a radiolabeled ligand ChEMBL. 11087562

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11087562

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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