Detailed information for compound 401279

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1153.33 | Formula: C56H80N16O11
  • H donors: 14 H acceptors: 11 LogP: -1.26 Rotable bonds: 42
    Rule of 5 violations (Lipinski): 4
  • SMILES: NC(=O)C[C@@H](C(=O)NCCCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)Cc1ccccc1)Cc1ccc(cc1)O)Cc1ccccc1
  • InChi: 1S/C56H80N16O11/c1-33(2)47(71-52(81)41(29-34-13-5-3-6-14-34)69-51(80)40(30-36-21-23-37(73)24-22-36)66-45(75)31-35-15-7-4-8-16-35)54(83)70-42(32-44(57)74)49(78)63-25-11-20-46(76)72-28-12-19-43(72)53(82)68-39(18-10-27-65-56(61)62)50(79)67-38(48(58)77)17-9-26-64-55(59)60/h3-8,13-16,21-24,33,38-43,47,73H,9-12,17-20,25-32H2,1-2H3,(H2,57,74)(H2,58,77)(H,63,78)(H,66,75)(H,67,79)(H,68,82)(H,69,80)(H,70,83)(H,71,81)(H4,59,60,64)(H4,61,62,65)/t38-,39-,40+,41-,42-,43+,47-/m0/s1
  • InChiKey: HADLPJASJDVRHK-PGZNLPBKSA-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 Vasopressin V1 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
Onchocerca volvulus Phospholipase d-related homolog Vasopressin V1 receptor   425 aa 357 aa 20.2 %
Onchocerca volvulus Vasopressin V1 receptor   425 aa 392 aa 21.9 %
Loa Loa (eye worm) hypothetical protein Vasopressin V1 receptor   425 aa 370 aa 24.3 %
Schistosoma mansoni biogenic amine (5HT) receptor Vasopressin V1 receptor   425 aa 355 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0456 0.081 0.4118
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0347 0.0588 0.1718
Echinococcus multilocularis histone deacetylase 0.0914 0.1739 0.1739
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0067 0.0018 0.0095
Trichomonas vaginalis histone deacetylase, putative 0.1013 0.194 1
Echinococcus granulosus calpain 7 C02 family 0.017 0.0229 0.0229
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.0018 0.0085
Schistosoma mansoni hypothetical protein 0.0151 0.019 0.0971
Leishmania major histone deacetylase, putative 0.1013 0.194 0.5452
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.028 0.1445
Loa Loa (eye worm) calpain 5 0.0119 0.0125 0.0554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Loa Loa (eye worm) phosphatidylinositol 3 0.0347 0.0588 0.2962
Schistosoma mansoni calpain-7 (C02 family) 0.017 0.0229 0.1171
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.017 0.0229 0.118
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0036 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0452 0.0801 0.0801
Echinococcus granulosus histone deacetylase 6 0.0939 0.179 0.179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Echinococcus multilocularis neuropeptide receptor A26 0.0452 0.0801 0.0801
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0067 0.0018 0.0018
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0067 0.0018 0.0054
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0347 0.0588 0.3022
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0347 0.0588 0.1718
Loa Loa (eye worm) hypothetical protein 0.0218 0.0326 0.1599
Echinococcus granulosus histone deacetylase 7 0.0914 0.1739 0.1739
Echinococcus multilocularis calpain 5 0.017 0.0229 0.0229
Echinococcus granulosus calpain 0.017 0.0229 0.0229
Brugia malayi Histone deacetylase family protein 0.0914 0.1739 0.8954
Schistosoma mansoni Mername-AA248 (C02 family) 0.017 0.0229 0.1171
Giardia lamblia GTOR 0.0347 0.0588 0.2962
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma brucei histone deacetylase, putative 0.0914 0.1739 0.8964
Echinococcus multilocularis hypothetical protein 0.017 0.0229 0.0229
Loa Loa (eye worm) histone deacetylase 0.0914 0.1739 0.8954
Trypanosoma cruzi histone deacetylase, putative 0.0456 0.081 0.2367
Leishmania major kinesin, putative 0.0119 0.0125 0.0346
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0036 0.0177
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0151 0.019 0.019
Trypanosoma cruzi kinesin, putative 0.0119 0.0125 0.0365
Loa Loa (eye worm) hypothetical protein 0.0278 0.0447 0.2228
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0347 0.0588 0.0588
Trypanosoma brucei calpain-like protein, putative 0.017 0.0229 0.118
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0067 0.0018 0.0054
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0002 0.0002
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0036 0.0036
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0472 0.0842 0.0842
Entamoeba histolytica hypothetical protein 0.0196 0.028 0.1445
Mycobacterium tuberculosis Conserved hypothetical protein 0.0067 0.0018 1
Brugia malayi calpain family protein 1 0.0452 0.08 0.4069
Echinococcus multilocularis 0.0067 0.0018 0.0018
Schistosoma mansoni histone deacetylase 0.1013 0.194 1
Plasmodium vivax histone deacetylase, putative 0.0456 0.081 0.4118
Trypanosoma brucei calpain-like protein, putative 0.017 0.0229 0.118
Echinococcus multilocularis histone deacetylase 6 0.0914 0.1739 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.028 0.1445
Schistosoma mansoni histone deacetylase 1 2 3 0.0456 0.081 0.4168
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0067 0.0018 0.0085
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0472 0.0842 0.0842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma cruzi kinesin, putative 0.0119 0.0125 0.0365
Loa Loa (eye worm) hypothetical protein 0.04 0.0696 0.3527
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0067 0.0018 0.0085
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.017 0.0229 0.118
Toxoplasma gondii target of rapamycin (TOR), putative 0.0347 0.0588 0.3022
Leishmania major hypothetical protein, unknown function 0.0067 0.0018 0.0046
Loa Loa (eye worm) hypothetical protein 0.0483 0.0863 0.4396
Plasmodium falciparum histone deacetylase, putative 0.0914 0.1739 0.8954
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0067 0.0018 0.0095
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0036 0.0036
Schistosoma mansoni calpain (C02 family) 0.017 0.0229 0.1171
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0067 0.0018 0.0095
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0067 0.0018 0.0018
Trypanosoma cruzi target of rapamycin kinase 3 0.0347 0.0588 0.1718
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0067 0.0018 0.0085
Toxoplasma gondii histone deacetylase HDAC5 0.0456 0.081 0.4168
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0067 0.0018 0.0046
Leishmania major phosphatidylinositol kinase related protein, putative 0.0067 0.0018 0.0046
Loa Loa (eye worm) calpain family protein 1 0.0332 0.0558 0.2809
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0067 0.0018 0.0095
Echinococcus granulosus cathepsin b 0.0278 0.0447 0.0447
Trichomonas vaginalis histone deacetylase, putative 0.1013 0.194 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Loa Loa (eye worm) histone deacetylase 7A 0.0914 0.1739 0.8954
Echinococcus granulosus histone deacetylase 1 0.1013 0.194 0.194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0067 0.0018 0.0095
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.017 0.0229 0.0638
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.028 0.1445
Entamoeba histolytica hypothetical protein 0.0067 0.0018 0.0095
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0067 0.0018 0.0095
Plasmodium vivax calpain, putative 0.017 0.0229 0.1095
Echinococcus granulosus neuropeptide s receptor 0.0452 0.0801 0.0801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Giardia lamblia Histone deacetylase 0.1013 0.194 1
Leishmania major phosphatidylinositol kinase, putative 0.0067 0.0018 0.0046
Loa Loa (eye worm) hypothetical protein 0.0457 0.0812 0.413
Brugia malayi histone deacetylase 1 (HD1) 0.1013 0.194 1
Brugia malayi Histone deacetylase family protein 0.0914 0.1739 0.8954
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.017 0.0229 0.0669
Schistosoma mansoni hypothetical protein 0.0067 0.0018 0.0085
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0067 0.0018 0.0018
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.0018 0.0085
Leishmania major phosphatidylinositol 3-kinase, putative 0.0067 0.0018 0.0046
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.017 0.0229 0.0638
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0347 0.0588 0.3029
Entamoeba histolytica hypothetical protein 0.0067 0.0018 0.0095
Echinococcus multilocularis calpain 7 (C02 family) 0.017 0.0229 0.0229
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0196 0.028 0.1436
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1013 0.194 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0278 0.0447 0.1305
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0067 0.0018 0.0018
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0036 0.5
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0347 0.0588 0.0588
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0067 0.0018 0.0095
Leishmania major phosphatidylinositol 4-kinase, putative 0.0067 0.0018 0.0046
Echinococcus granulosus histone deacetylase 6 0.0914 0.1739 0.1739
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0196 0.028 0.0819
Toxoplasma gondii FATC domain-containing protein 0.0196 0.028 0.1436
Schistosoma mansoni fkbp-rapamycin associated protein 0.0196 0.028 0.1436
Trypanosoma cruzi histone deacetylase, putative 0.0456 0.081 0.2367
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0347 0.0588 0.1648
Leishmania major hypothetical protein, conserved 0.1809 0.3557 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0067 0.0018 0.0018
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0036 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0347 0.0588 0.2962
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0218 0.0326 0.1679
Schistosoma mansoni histone deacetylase 4 5 0.0914 0.1739 0.8963
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0347 0.0588 0.3029
Plasmodium falciparum histone deacetylase 2 0.0914 0.1739 0.8954
Giardia lamblia Cathepsin B precursor 0.0092 0.0069 0.0263
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.0018 0.0085
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0067 0.0018 0.0018
Echinococcus multilocularis Zinc finger, PHD finger 0.0067 0.0018 0.0018
Schistosoma mansoni calpain-7 (C02 family) 0.017 0.0229 0.1171
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0067 0.0018 0.0095
Echinococcus multilocularis cathepsin b 0.0278 0.0447 0.0447
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0347 0.0588 0.3029
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0067 0.0018 0.0095
Trypanosoma cruzi histone deacetylase 1, putative 0.1013 0.194 0.567
Echinococcus multilocularis histone deacetylase 6 0.0914 0.1739 0.1739
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0145 0.0746
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0067 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0067 0.0018 0.0095
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0067 0.0018 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trichomonas vaginalis histone deacetylase, putative 0.1013 0.194 1
Echinococcus granulosus cathepsin b 0.0278 0.0447 0.0447
Trypanosoma brucei histone deacetylase 3 0.0914 0.1739 0.8964
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0347 0.0588 0.1718
Brugia malayi calpain family protein 1 0.0452 0.08 0.4069
Schistosoma mansoni histone deacetylase hda2 0.0939 0.179 0.9226
Echinococcus multilocularis cathepsin b 0.0278 0.0447 0.0447
Echinococcus granulosus histone deacetylase 6 0.0914 0.1739 0.1739
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0067 0.0018 0.0095
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.017 0.0229 0.0669
Loa Loa (eye worm) hypothetical protein 0.0129 0.0145 0.0657
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0067 0.0018 0.0095
Echinococcus granulosus histone deacetylase 3 0.1013 0.194 0.194
Brugia malayi histone deacetylase 11 0.0456 0.081 0.4118
Trichomonas vaginalis conserved hypothetical protein 0.0218 0.0326 0.1679
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0347 0.0588 0.3029
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0067 0.0018 0.0054
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0067 0.0018 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0218 0.0326 0.1679
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0092 0.0069 0.0201
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0067 0.0018 0.0054
Echinococcus multilocularis calpain family protein 1, d 0.0332 0.0558 0.0558
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0347 0.0588 0.3029
Loa Loa (eye worm) histone deacetylase 1 0.1013 0.194 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0067 0.0018 0.0095
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1013 0.194 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.017 0.0229 0.0669
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0067 0.0018 0.0095
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0067 0.0018 0.0054
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0067 0.0018 0.0018
Schistosoma mansoni histone deacetylase 0.1013 0.194 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.017 0.0229 0.0669
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.028 0.1445
Echinococcus multilocularis histone deacetylase 8 0.0456 0.081 0.081
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0092 0.0069 0.0355
Toxoplasma gondii cathepsin B 0.0092 0.0069 0.0345
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0067 0.0018 0.0095
Trichomonas vaginalis histone deacetylase, putative 0.1013 0.194 1
Entamoeba histolytica hypothetical protein 0.0067 0.0018 0.0095
Trypanosoma cruzi calpain cysteine peptidase, putative 0.017 0.0229 0.0669
Brugia malayi Probable ClpP-like protease 0.0076 0.0036 0.0093
Echinococcus multilocularis serine protein kinase ATM 0.0196 0.028 0.028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.017 0.0229 0.0638
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0347 0.0588 0.0588
Onchocerca volvulus Histone deacetylase 10 homolog 0.0456 0.081 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0196 0.028 0.0819
Echinococcus granulosus histone deacetylase 8 0.0456 0.081 0.081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.028 0.1445
Plasmodium vivax histone deacetylase 1, putative 0.1013 0.194 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0347 0.0588 0.3029
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0092 0.0069 0.0188
Entamoeba histolytica hypothetical protein 0.0067 0.0018 0.0095
Entamoeba histolytica histone deacetylase, putative 0.1013 0.194 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0067 0.0018 0.0095
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0036 0.0093
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0196 0.028 0.1363
Echinococcus granulosus calpain 5 0.017 0.0229 0.0229
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0067 0.0018 0.0085
Echinococcus granulosus calpain A 0.017 0.0229 0.0229
Leishmania major histone deacetylase, putative 0.0914 0.1739 0.4886
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0067 0.0018 0.0095
Echinococcus multilocularis histone deacetylase 6 0.0939 0.179 0.179
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0347 0.0588 0.1648
Brugia malayi Histone deacetylase 1 0.1013 0.194 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0347 0.0588 0.2962
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0002 0.0002
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0347 0.0588 0.1718
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0067 0.0018 0.0018
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0036 0.0093
Brugia malayi calpain 7 0.017 0.0229 0.1095
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0067 0.0018 0.0085
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4981 1 1
Brugia malayi FAT domain containing protein 0.0151 0.019 0.0894
Loa Loa (eye worm) hypothetical protein 0.0151 0.019 0.0894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Plasmodium vivax histone deacetylase, putative 0.0914 0.1739 0.8954
Loa Loa (eye worm) cathepsin B 0.0092 0.0069 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Echinococcus multilocularis histone deacetylase 7 0.0914 0.1739 0.1739
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0036 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0914 0.1739 0.5083
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1013 0.194 1
Loa Loa (eye worm) hypothetical protein 0.0332 0.0558 0.2809
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0067 0.0018 0.0095
Leishmania major histone deacetylase, putative 0.1013 0.194 0.5452
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0151 0.019 0.019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma brucei calpain-like protein, putative 0.017 0.0229 0.118
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0278 0.0447 0.2294
Plasmodium vivax histone deacetylase 2, putative 0.0914 0.1739 0.8954
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0036 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0018 0.0095
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0347 0.0588 0.2962
Echinococcus granulosus serine protein kinase ATM 0.0196 0.028 0.028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0018 0.0095
Trypanosoma cruzi hypothetical protein, conserved 0.1742 0.3421 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0092 0.0069 0.0355
Leishmania major histone deacetylase, putative 0.0914 0.1739 0.4886
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0347 0.0588 0.0588
Trichomonas vaginalis PIKK family atypical protein kinase 0.0129 0.0145 0.0746
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0036 1
Trichomonas vaginalis histone deacetylase, putative 0.1013 0.194 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Schistosoma mansoni histone deacetylase 4 5 0.0914 0.1739 0.8963
Toxoplasma gondii histone deacetylase HDAC3 0.1013 0.194 1
Brugia malayi calpain 5 0.0119 0.0125 0.0554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0092 0.0069 0.0345
Loa Loa (eye worm) hypothetical protein 0.0076 0.0036 0.0093
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0036 1
Echinococcus granulosus histone deacetylase 0.0914 0.1739 0.1739
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0067 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0196 0.028 0.1363
Schistosoma mansoni histone deacetylase hda2 0.0456 0.081 0.4168
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0347 0.0588 0.1648
Trypanosoma cruzi histone deacetylase, putative 0.0914 0.1739 0.5083
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0218 0.0326 0.1671
Toxoplasma gondii histone deacetylase HDAC4 0.0456 0.081 0.4168
Onchocerca volvulus 0.0281 0.0454 0.5507
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0067 0.0018 0.0054
Trypanosoma cruzi histone deacetylase 1, putative 0.1013 0.194 0.567
Brugia malayi cathepsin B-like cysteine proteinase 0.0278 0.0447 0.2228
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0347 0.0588 0.1648
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0452 0.08 0.4119
Echinococcus multilocularis histone deacetylase 3 0.1013 0.194 0.194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0067 0.0018 0.0054
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0067 0.0018 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma brucei histone deacetylase 2 0.0456 0.081 0.4174
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.017 0.0229 0.0669
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0129 0.0145 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0067 0.0018 0.0018
Entamoeba histolytica protein kinase rad3, putative 0.0196 0.028 0.1445
Trypanosoma cruzi histone deacetylase, putative 0.0914 0.1739 0.5083
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0196 0.028 0.1445
Toxoplasma gondii histone deacetylase HDAC2 0.1013 0.194 1
Toxoplasma gondii histone deacetylase HDAC1 0.0914 0.1739 0.8963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.028 0.1445
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0067 0.0018 0.0018
Loa Loa (eye worm) calpain 0.017 0.0229 0.1095
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.0018 0.0085
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0067 0.0018 0.0095
Trypanosoma brucei histone deacetylase 4 0.0914 0.1739 0.8964
Loa Loa (eye worm) histone deacetylase 11 0.0456 0.081 0.4118
Loa Loa (eye worm) hypothetical protein 0.0281 0.0454 0.2268
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0067 0.0018 0.0095
Entamoeba histolytica calpain large subunit domain III containing protein 0.0119 0.0125 0.0644
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.017 0.0229 0.0669
Leishmania major phosphatidylinositol 3-kinase, putative 0.0347 0.0588 0.1648
Echinococcus granulosus neuropeptide receptor A26 0.0452 0.0801 0.0801
Echinococcus granulosus calpain A 0.0472 0.0842 0.0842
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.0018 0.0085
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0036 0.0177
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.017 0.0229 0.0669
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0018 0.0095
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0067 0.0018 0.0095
Trypanosoma brucei kinesin, putative 0.0119 0.0125 0.0644
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0278 0.0447 0.2294
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0067 0.0018 0.0085
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.028 0.1445
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0067 0.0018 0.0054
Trichomonas vaginalis histone deacetylase, putative 0.1013 0.194 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0278 0.0447 0.2294
Plasmodium falciparum histone deacetylase 1 0.1013 0.194 1
Schistosoma mansoni calpain C (C02 family) 0.017 0.0229 0.1171
Giardia lamblia Cathepsin B precursor 0.0092 0.0069 0.0263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.028 0.1445
Echinococcus multilocularis histone deacetylase 1 0.1013 0.194 0.194
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.017 0.0229 0.0669
Loa Loa (eye worm) hypothetical protein 0.1013 0.194 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0472 0.0842 0.4333
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0196 0.028 0.028
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0347 0.0588 0.3022
Giardia lamblia Cathepsin B precursor 0.0092 0.0069 0.0263
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0067 0.0018 0.0095
Entamoeba histolytica protein kinase, putative 0.0119 0.0125 0.0644
Trichomonas vaginalis PIKK family atypical protein kinase 0.0347 0.0588 0.3029
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.019 0.098
Echinococcus multilocularis calpain 0.017 0.0229 0.0229
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0067 0.0018 0.0095
Trypanosoma brucei antigen, putative 0.017 0.0229 0.118
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0067 0.0018 0.0095
Loa Loa (eye worm) histone deacetylase 3 0.1013 0.194 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0067 0.0018 0.0085
Echinococcus multilocularis calpain A 0.0472 0.0842 0.0842
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0036 0.0177
Loa Loa (eye worm) hypothetical protein 0.0452 0.08 0.4069
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0196 0.028 0.1363
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0196 0.028 0.1445
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0278 0.0447 0.2294
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0347 0.0588 0.3029
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0472 0.0842 0.4333
Loa Loa (eye worm) calpain family protein 1 0.0452 0.08 0.4069
Trypanosoma brucei histone deacetylase 1 0.1013 0.194 1
Brugia malayi histone deacetylase 3 (HD3) 0.1013 0.194 1
Trypanosoma brucei calpain-like protein, putative 0.017 0.0229 0.118
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.017 0.0229 0.0669
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0067 0.0018 0.0095
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0196 0.028 0.028

Activities

Activity type Activity value Assay description Source Reference
Effective dose (functional) = 2.2 nM kg-1 Effective dose was determined for Vasopressin V1 receptor antagonistic activity in vivo in anesthetized rats ChEMBL. 2231609
Effective dose (functional) = 2.2 nM kg-1 Effective dose was determined for Vasopressin V1 receptor antagonistic activity in vivo in anesthetized rats ChEMBL. 2231609
Effective dose (functional) ~ 20 nM kg-1 Effective dose was determined for Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats ChEMBL. 2231609
Effective dose (functional) ~ 20 nM kg-1 Effective dose was determined for Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats ChEMBL. 2231609
Kd (functional) = 7.54 pA2 value was determined for Vasopressin V1 receptor antagonistic activity in vivo in anesthetized rats ChEMBL. 2231609
pA2 (functional) ~ 6.5 pA2 value was determined for antidiuretic V2 antagonistic activity in vivo in anesthetized rats pA2 value was determined for antidiuretic V2 antagonistic activity in vivo in anesthetized rats ChEMBL. 2231609
pA2 (functional) = 7.54 pA2 value was determined for Vasopressin V1 receptor antagonistic activity in vivo in anesthetized rats ChEMBL. 2231609
Ratio (binding) = 9 Selectivity ratio of antidiuretic Vasopressin V2 receptor ED /antivasopreessor Vasopressin V2 receptor ED ChEMBL. 2231609

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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