Detailed information for compound 406100

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 3358.87 | Formula: C149H245N43O43S
  • H donors: 49 H acceptors: 43 LogP: -14.88 Rotable bonds: 143
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CO)CCSC)[C@H](CC)C)CC(=O)O)CCC(=O)N)CC(C)C)CC(C)C)CCCCN)CCCN=C(N)N)C)CO)CC(C)C)CCC(=O)N)CC(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)CC(=O)O)C)Cc1ccccc1)CC(=O)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N
  • InChi: 1S/C149H245N43O43S/c1-20-77(13)116(190-121(209)81(17)167-131(219)104(66-113(203)204)177-120(208)79(15)166-122(210)88(152)62-84-39-43-86(197)44-40-84)144(232)184-102(63-83-32-23-22-24-33-83)137(225)192-118(82(18)196)145(233)185-103(65-111(155)201)136(224)188-108(71-195)141(229)181-101(64-85-41-45-87(198)46-42-85)135(223)173-92(37-30-55-163-148(158)159)125(213)172-90(35-26-28-53-151)130(218)189-115(76(11)12)142(230)183-97(58-72(3)4)123(211)165-68-112(202)169-93(47-49-109(153)199)127(215)179-100(61-75(9)10)134(222)187-106(69-193)139(227)168-80(16)119(207)170-91(36-29-54-162-147(156)157)124(212)171-89(34-25-27-52-150)126(214)178-99(60-74(7)8)133(221)180-98(59-73(5)6)132(220)174-94(48-50-110(154)200)128(216)182-105(67-114(205)206)138(226)191-117(78(14)21-2)143(231)175-95(51-57-236-19)129(217)186-107(70-194)140(228)176-96(146(234)235)38-31-56-164-149(160)161/h22-24,32-33,39-46,72-82,88-108,115-118,193-198H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,199)(H2,154,200)(H2,155,201)(H,165,211)(H,166,210)(H,167,219)(H,168,227)(H,169,202)(H,170,207)(H,171,212)(H,172,213)(H,173,223)(H,174,220)(H,175,231)(H,176,228)(H,177,208)(H,178,214)(H,179,215)(H,180,221)(H,181,229)(H,182,216)(H,183,230)(H,184,232)(H,185,233)(H,186,217)(H,187,222)(H,188,224)(H,189,218)(H,190,209)(H,191,226)(H,192,225)(H,203,204)(H,205,206)(H,234,235)(H4,156,157,162)(H4,158,159,163)(H4,160,161,164)/t77-,78-,79-,80-,81-,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-/m0/s1
  • InChiKey: KFGRVLINLVVMJA-MITYVQBRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Growth hormone-releasing hormone 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
Loa Loa (eye worm) pigment dispersing factor receptor c Growth hormone-releasing hormone receptor   464 aa 468 aa 22.6 %
Onchocerca volvulus Pseudouridine-5 prime-monophosphatase homolog Growth hormone-releasing hormone receptor   464 aa 438 aa 22.8 %
Loa Loa (eye worm) hypothetical protein Growth hormone-releasing hormone receptor   464 aa 447 aa 24.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0915 0.945 1
Echinococcus granulosus lachesin 0.0064 0.0259 0.0308
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0068 0.0294 0.0276
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0378 0.3646 0.3835
Echinococcus multilocularis peroxidasin 0.0064 0.0259 0.0268
Schistosoma mansoni hypothetical protein 0.0068 0.0294 0.0309
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0073 0.0352 0.0379
Loa Loa (eye worm) hypothetical protein 0.0125 0.091 0.093
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0202 0.175 0.312
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0225 0.1998 0.2341
Loa Loa (eye worm) hypothetical protein 0.0333 0.3163 0.3323
Trypanosoma cruzi hypothetical protein, conserved 0.0098 0.0626 0.3449
Schistosoma mansoni cell adhesion molecule 0.0064 0.0259 0.0268
Schistosoma mansoni tyrosine kinase 0.008 0.0431 0.0473
Loa Loa (eye worm) hypothetical protein 0.0118 0.0838 0.0853
Echinococcus multilocularis epidermal growth factor receptor 0.0446 0.4379 0.518
Plasmodium vivax geranylgeranyltransferase, putative 0.0098 0.0626 0.1891
Schistosoma mansoni cell adhesion molecule 0.0064 0.0259 0.0268
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0099 0.0638 0.064
Echinococcus granulosus neuroglian 0.0064 0.0259 0.0308
Onchocerca volvulus 0.0055 0.0158 0.0154
Plasmodium falciparum geranylgeranyltransferase, putative 0.0098 0.0626 0.1891
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0432 0.4228 0.5021
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0098 0.0626 0.1891
Brugia malayi Peroxidasin 0.0064 0.0259 0.0239
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0091 0.0547 0.0612
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0333 0.3163 0.3756
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0234 0.2088 0.4059
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0125 0.091 0.1044
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0202 0.175 0.312
Brugia malayi Guanylyl cyclase protein 23 0.0055 0.0158 0.0131
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0106 0.0705 0.0218
Leishmania major cytochrome p450-like protein 0.0047 0.0072 0.0217
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0106 0.0705 0.0218
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0333 0.3163 0.3323
Brugia malayi Prion-like- 0.0064 0.0259 0.0239
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0106 0.0705 0.0309
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0099 0.0638 0.3372
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0064 0.0259 0.0239
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0349 0.3338 0.3939
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.034 0.3239 0.3821
Brugia malayi hypothetical protein 0.0125 0.091 0.093
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0047 0.0072 0.0556
Leishmania major fk506-binding protein 1-like protein 0.0106 0.0705 0.3906
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0202 0.175 0.312
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0333 0.3163 0.373
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0259 0.0239
Brugia malayi ecdysteroid receptor 0.0164 0.134 0.1387
Leishmania major peptidylprolyl isomerase-like protein 0.0106 0.0705 0.3906
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0098 0.0626 0.2881
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0106 0.0705 0.3771
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0202 0.175 0.8353
Schistosoma mansoni septate junction protein 0.0064 0.0259 0.0268
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0432 0.4228 0.4454
Loa Loa (eye worm) hypothetical protein 0.0064 0.0259 0.0239
Loa Loa (eye worm) RGC/RGC protein kinase 0.0055 0.0158 0.0131
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0106 0.0705 0.0712
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0098 0.0626 0.0628
Loa Loa (eye worm) TK/ROR protein kinase 0.0048 0.0079 0.0047
Echinococcus multilocularis Immunoglobulin 0.0125 0.091 0.1044
Leishmania major geranylgeranyltransferase, putative 0.0098 0.0626 0.3449
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0064 0.0259 0.0279
Schistosoma mansoni roundabout 0.0064 0.0259 0.0268
Loa Loa (eye worm) RGC/RGC protein kinase 0.0055 0.0158 0.0131
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0106 0.0705 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0072 0.004
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0259 0.0239
Loa Loa (eye worm) TK protein kinase 0.0257 0.2342 0.2451
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0225 0.1998 0.2372
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0073 0.0352 0.0418
Loa Loa (eye worm) hypothetical protein 0.0125 0.091 0.093
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0202 0.175 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0073 0.0352 0.0379
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0513 0.5111 0.6053
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0099 0.0638 0.0757
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0107 0.0718 0.0726
Schistosoma mansoni titin 0.0064 0.0259 0.0268
Echinococcus granulosus metabotropic glutamate receptor 2 0.0349 0.3338 0.3964
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0113 0.0135
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0098 0.0626 0.3449
Toxoplasma gondii hypothetical protein 0.0099 0.0638 0.2937
Brugia malayi Metabotropic glutamate receptor precursor. 0.0417 0.4069 0.4285
Echinococcus multilocularis hemicentin 1 0.0064 0.0259 0.0268
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0113 0.0084
Echinococcus granulosus fibroblast growth factor receptor 4 0.0225 0.1998 0.2372
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0064 0.0259 0.0268
Brugia malayi metabotropic glutamate receptor type 2 0.0203 0.1759 0.1832
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0064 0.0259 0.0268
Echinococcus granulosus epidermal growth factor receptor 0.0446 0.4379 0.52
Trypanosoma cruzi protein farnesyltransferase, putative 0.0202 0.175 1
Onchocerca volvulus 0.0742 0.7578 0.936
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0106 0.0705 0.2142
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0259 0.0239
Trypanosoma cruzi cytochrome P450, putative 0.0047 0.0072 0.0217
Toxoplasma gondii hypothetical protein 0.0234 0.2088 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0259 0.0239
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0099 0.0638 0.0757
Schistosoma mansoni cell adhesion molecule 0.0157 0.1263 0.1464
Echinococcus multilocularis tyrosine protein kinase otk 0.0064 0.0259 0.0268
Trypanosoma cruzi lanosterol synthase, putative 0.0138 0.1051 0.5924
Schistosoma mansoni tyrosine kinase 0.0055 0.0158 0.0148
Trypanosoma brucei lanosterol synthase 0.0138 0.1051 0.5833
Brugia malayi Cytochrome P450 family protein 0.0047 0.0072 0.004
Schistosoma mansoni tyrosine kinase 0.027 0.2477 0.2912
Loa Loa (eye worm) RGC/RGC protein kinase 0.0055 0.0158 0.0131
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0202 0.175 0.5483
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0202 0.175 0.2045
Onchocerca volvulus Bile acid receptor homolog 0.0164 0.134 0.162
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0048 0.0079 0.0094
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0055 0.0158 0.0154
Echinococcus granulosus roundabout 2 0.0189 0.1607 0.1908
Schistosoma mansoni tyrosine kinase 0.0446 0.4379 0.518
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0333 0.3163 0.373
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0091 0.0547 0.065
Echinococcus multilocularis epidermal growth factor receptor 0.082 0.8421 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0106 0.0705 0.3906
Loa Loa (eye worm) hypothetical protein 0.0189 0.1607 0.167
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0333 0.3163 0.7043
Echinococcus multilocularis Immunoglobulin 0.0125 0.091 0.1044
Echinococcus granulosus Immunoglobulin 0.0125 0.091 0.1081
Trypanosoma cruzi cytochrome P450, putative 0.0047 0.0072 0.0217
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0106 0.0705 0.0218
Trypanosoma cruzi hypothetical protein, conserved 0.0099 0.0638 0.3515
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0259 0.0239
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0064 0.0259 0.0268
Brugia malayi latrophilin 2 splice variant baaae 0.0081 0.0434 0.0425
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0072 0.004
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0432 0.4228 1
Schistosoma mansoni tyrosine kinase 0.082 0.8421 1
Brugia malayi Protein kinase domain containing protein 0.027 0.2477 0.2594
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0113 0.0094
Echinococcus granulosus hemicentin 1 0.0064 0.0259 0.0308
Loa Loa (eye worm) hypothetical protein 0.0081 0.0434 0.0425
Echinococcus multilocularis roundabout 2 0.0189 0.1607 0.1875
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0099 0.0638 0.0032
Schistosoma mansoni protein kinase 0.0055 0.0158 0.0148
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0099 0.0638 0.0719
Loa Loa (eye worm) hypothetical protein 0.0064 0.0259 0.0239
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0113 0.0094
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0106 0.0705 0.2142
Schistosoma mansoni metabotropic glutamate receptor 0.0203 0.1759 0.2056
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0099 0.0638 0.064
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0073 0.0352 0.0379
Echinococcus multilocularis 0.025 0.2267 0.2661
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.034 0.3239 0.3821
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0259 0.0239
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0106 0.0705 0.3906
Echinococcus multilocularis hemicentin 1 0.0064 0.0259 0.0268
Echinococcus granulosus roundabout 2 0.0064 0.0259 0.0308
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0202 0.175 0.312
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0432 0.4228 0.5
Schistosoma mansoni nephrin 0.0157 0.1255 0.1455
Loa Loa (eye worm) hypothetical protein 0.0064 0.0259 0.0239
Leishmania major farnesyltransferase beta subunit 0.0202 0.175 1
Schistosoma mansoni tyrosine kinase 0.043 0.4207 0.4975
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0098 0.0626 0.3304
Echinococcus granulosus epidermal growth factor receptor 0.082 0.8421 1
Echinococcus granulosus roundabout 2 0.0064 0.0259 0.0308
Trichomonas vaginalis fk506-binding protein, putative 0.0106 0.0705 0.0218
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0099 0.0638 0.3515
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0202 0.175 0.2078
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0064 0.0259 0.0239
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0104 0.0686 0.2084
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0202 0.175 0.312
Echinococcus multilocularis GPCR, family 3, C terminal 0.0068 0.0294 0.0309
Echinococcus granulosus neuroglian 0.0157 0.1255 0.149
Chlamydia trachomatis protoporphyrinogen oxidase 0.0044 0.0035 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0333 0.3163 0.7043
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0098 0.0626 0.1891
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0202 0.175 0.1822
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0099 0.0638 0.3515
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0106 0.0705 0.3906
Echinococcus multilocularis neuroglian 0.0064 0.0259 0.0268
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0432 0.4228 0.4454
Loa Loa (eye worm) glutamate receptor 0.0417 0.4069 0.4285
Schistosoma mansoni tyrosine kinase 0.0225 0.1998 0.2341
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0432 0.4228 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0099 0.0638 0.0032
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0138 0.1051 0.102
Brugia malayi Calcitonin receptor-like protein seb-1 0.0118 0.0838 0.0853
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0474 0.4687 0.5547
Schistosoma mansoni immunophilin 0.0091 0.0547 0.0612
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0202 0.175 0.312
Echinococcus granulosus tyrosine kinase 0.0055 0.0158 0.0188
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0106 0.0705 0.0309
Echinococcus multilocularis insulin receptor 0.027 0.2477 0.2912
Loa Loa (eye worm) hypothetical protein 0.0064 0.0259 0.0239
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0113 0.0094
Schistosoma mansoni tyrosine kinase 0.0446 0.4379 0.518
Loa Loa (eye worm) hypothetical protein 0.0164 0.134 0.1387
Loa Loa (eye worm) hypothetical protein 0.0125 0.091 0.093
Brugia malayi Protein-tyrosine phosphatase containing protein 0.034 0.3239 0.3403
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0333 0.3163 0.7043
Schistosoma mansoni neuroglian 0.0064 0.0259 0.0268
Loa Loa (eye worm) hypothetical protein 0.0125 0.091 0.093
Schistosoma mansoni immunophilin 0.0106 0.0705 0.0799
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0099 0.0638 0.1928
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0113 0.0094
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0202 0.175 0.2045
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0202 0.175 0.1822
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0044 0.0035 0.5
Brugia malayi Cytochrome P450 family protein 0.0047 0.0072 0.004
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0259 0.0239
Schistosoma mansoni vesicular amine transporter 0.0127 0.0933 0.1071
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0106 0.0705 0.0799
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0202 0.175 0.312
Loa Loa (eye worm) hypothetical protein 0.0098 0.0626 0.0628
Loa Loa (eye worm) glutamate receptor 0.0164 0.1335 0.1382
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0432 0.4228 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0044 0.0035 0.0041
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0048 0.0079 0.0053
Schistosoma mansoni tyrosine kinase 0.043 0.4207 0.4975
Loa Loa (eye worm) hypothetical protein 0.0091 0.0547 0.0545
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0118 0.0838 0.0853
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0106 0.0705 0.0712
Loa Loa (eye worm) hypothetical protein 0.0107 0.0718 0.0726
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0099 0.0638 0.3515
Onchocerca volvulus Poor gastrulation protein homolog 0.0068 0.0294 0.0322
Loa Loa (eye worm) hypothetical protein 0.0068 0.0294 0.0276
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0333 0.3163 0.3323
Echinococcus multilocularis neuroglian 0.0157 0.1255 0.1455
Brugia malayi Immunoglobulin I-set domain containing protein 0.0257 0.2342 0.2451
Schistosoma mansoni metabotropic glutamate receptor 0.0349 0.3338 0.3939
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0106 0.0705 0.0712
Echinococcus granulosus peroxidasin 0.0064 0.0259 0.0308
Trypanosoma cruzi hypothetical protein, conserved 0.0099 0.0638 0.3515
Echinococcus granulosus twitchin 0.0157 0.1255 0.149
Brugia malayi Furin-like cysteine rich region family protein 0.082 0.8421 0.8907
Giardia lamblia Prenyltransferase 0.0202 0.175 0.443
Loa Loa (eye worm) hypothetical protein 0.0189 0.1607 0.167
Loa Loa (eye worm) hypothetical protein 0.0157 0.1263 0.1304
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0202 0.175 0.5483
Schistosoma mansoni nephrin 0.0064 0.0259 0.0268
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0125 0.091 0.1044
Loa Loa (eye worm) hypothetical protein 0.0125 0.091 0.093
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0068 0.0294 0.0322
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0333 0.3163 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0064 0.0259 0.0239
Echinococcus multilocularis roundabout 2 0.0064 0.0259 0.0268
Trypanosoma cruzi protein farnesyltransferase, putative 0.0202 0.175 1
Trypanosoma cruzi lanosterol synthase, putative 0.0138 0.1051 0.5924
Loa Loa (eye worm) protein-tyrosine phosphatase 0.034 0.3239 0.3403
Loa Loa (eye worm) TK/EGFR protein kinase 0.082 0.8421 0.8907
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0225 0.1998 0.2341
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0259 0.0239
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0098 0.0626 0.0705
Echinococcus granulosus lysine specific histone demethylase 1A 0.0044 0.0035 0.0041
Brugia malayi Receptor family ligand binding region containing protein 0.0055 0.0158 0.0131
Onchocerca volvulus Tyrosine kinase homolog 0.079 0.8094 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0106 0.0705 0.0799
Trypanosoma brucei hypothetical protein, conserved 0.0099 0.0638 0.3372
Echinococcus granulosus defective proboscis extension response 0.0125 0.091 0.1081
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0333 0.3163 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0157 0.1263 0.1499
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0446 0.4379 0.52
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0333 0.3163 0.7043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0113 0.0094
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0125 0.091 0.1044
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0099 0.0638 0.3372
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0106 0.0705 0.0837
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0106 0.0705 0.0837
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0106 0.0705 0.3906
Schistosoma mansoni tyrosine kinase 0.027 0.2477 0.2912
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0107 0.0718 0.0726
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0099 0.0638 0.1928
Echinococcus granulosus insulin growth factor 1 receptor beta 0.027 0.2477 0.2941
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0113 0.0135
Loa Loa (eye worm) hypothetical protein 0.0064 0.0259 0.0239
Giardia lamblia Rab geranylgeranyltransferase 0.0333 0.3163 1
Onchocerca volvulus 0.0099 0.0638 0.0748
Schistosoma mansoni hypothetical protein 0.0081 0.0434 0.0477
Loa Loa (eye worm) hypothetical protein 0.0513 0.5111 0.5391
Echinococcus granulosus tyrosine protein kinase otk 0.0064 0.0259 0.0308
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0259 0.0239
Loa Loa (eye worm) hypothetical protein 0.0125 0.091 0.093
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0099 0.0638 0.3515
Loa Loa (eye worm) hypothetical protein 0.0064 0.0259 0.0239
Schistosoma mansoni cell adhesion molecule 0.0064 0.0259 0.0268
Giardia lamblia Rab geranylgeranyltransferase 0.0099 0.0638 0.0045
Echinococcus granulosus metabotropic glutamate receptor 5 0.0513 0.5111 0.6069
Echinococcus multilocularis fk506 binding protein 0.0106 0.0705 0.0799
Brugia malayi Immunoglobulin I-set domain containing protein 0.0915 0.945 1
Echinococcus multilocularis tyrosine kinase 0.0055 0.0158 0.0148
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0064 0.0259 0.0239
Schistosoma mansoni tyrosine kinase 0.043 0.4207 0.4975
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0106 0.0705 0.0218
Loa Loa (eye worm) TK/INSR protein kinase 0.027 0.2477 0.2594
Schistosoma mansoni immunophilin 0.0106 0.0705 0.0799
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0073 0.0352 0.0379
Loa Loa (eye worm) FKBP5 protein 0.0106 0.0705 0.0712
Brugia malayi Receptor family ligand binding region containing protein 0.0107 0.0718 0.0726
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0118 0.0838 0.0853
Loa Loa (eye worm) CYP4Cod1 0.0047 0.0072 0.004
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0432 0.4228 1
Schistosoma mansoni tyrosine kinase 0.0055 0.0158 0.0148
Brugia malayi Fibronectin type III domain containing protein 0.0125 0.091 0.093
Echinococcus multilocularis receptor type guanylyl cyclase 0.0055 0.0158 0.0148
Loa Loa (eye worm) hypothetical protein 0.0055 0.0158 0.0131
Brugia malayi Immunoglobulin I-set domain containing protein 0.0064 0.0259 0.0239
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0099 0.0638 0.0719
Echinococcus multilocularis lachesin 0.0064 0.0259 0.0268
Brugia malayi Immunoglobulin I-set domain containing protein 0.0125 0.091 0.093
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0106 0.0705 0.3771
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.034 0.3239 0.3846
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0113 0.0084
Echinococcus granulosus receptor type guanylyl cyclase 0.0055 0.0158 0.0188
Echinococcus granulosus GPCR family 3 C terminal 0.0068 0.0294 0.0349
Echinococcus granulosus contactin 0.0064 0.0259 0.0308
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0099 0.0638 0.3372
Echinococcus granulosus insulin receptor 0.027 0.2477 0.2941
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.027 0.2477 0.2912
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0106 0.0705 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0626 0.0628
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0098 0.0626 0.2881
Trichomonas vaginalis immunophilin, putative 0.0106 0.0705 0.0218
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0098 0.0626 0.0705
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0099 0.0638 0.0719
Trypanosoma cruzi hypothetical protein, conserved 0.0098 0.0626 0.3449
Schistosoma mansoni septate junction protein 0.0064 0.0259 0.0268
Loa Loa (eye worm) hypothetical protein 0.0064 0.0259 0.0239
Echinococcus multilocularis roundabout 2 0.0064 0.0259 0.0268

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 97 % Residual concentration of the compound after 60 min incubation with pituitary homogenates , in the binding assay conditions, by quantitative HPLC method ChEMBL. 1534126
Activity (functional) = 700 % Relative affinity of the compound was tested compared to hGRF(1-29)NH2 ChEMBL. 1534126
Activity (functional) = 700 % Relative affinity of the compound was tested compared to hGRF(1-29)NH2 ChEMBL. 1534126
IC50 (binding) = 0.8 nM Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates ChEMBL. 1534126
IC50 (binding) = 0.8 nM Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates ChEMBL. 1534126

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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