Detailed information for compound 401336

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1230.39 | Formula: C54H83N15O16S
  • H donors: 18 H acceptors: 16 LogP: -8.05 Rotable bonds: 50
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCCN=C(N)N)[C@H](CC)C)CCC(=O)N)CCS)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CO)Cc1ccccc1
  • InChi: 1S/C54H83N15O16S/c1-3-29(2)44(52(83)61-27-42(73)62-37(53(84)85)13-9-22-60-54(58)59)69-48(79)35(18-19-41(57)72)64-47(78)36(20-23-86)65-50(81)39(26-43(74)75)67-46(77)34(12-7-8-21-55)63-49(80)38(25-30-10-5-4-6-11-30)66-51(82)40(28-70)68-45(76)33(56)24-31-14-16-32(71)17-15-31/h4-6,10-11,14-17,29,33-40,44,70-71,86H,3,7-9,12-13,18-28,55-56H2,1-2H3,(H2,57,72)(H,61,83)(H,62,73)(H,63,80)(H,64,78)(H,65,81)(H,66,82)(H,67,77)(H,68,76)(H,69,79)(H,74,75)(H,84,85)(H4,58,59,60)/t29-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1
  • InChiKey: MMIXLCQZTWKAOW-KJYBBMTNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0213 0.0214 0.1716
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0341 0.0481 0.386
Trichomonas vaginalis cyclins, putative 0.0229 0.0246 0.3554
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0341 0.0481 0.6947
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0115 0.0008 0.5
Trichomonas vaginalis cyclin B, putative 0.0442 0.0692 1
Trypanosoma cruzi cyclin, putative 0.0442 0.0692 0.2067
Schistosoma mansoni cyclin B 0.0442 0.0692 0.5557
Trypanosoma brucei cdc2-related kinase 1 0.037 0.0543 0.7844
Trypanosoma brucei cysteine peptidase C (CPC) 0.012 0.0018 0.0257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0192 0.017 0.017
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0192 0.017 0.017
Leishmania major phosphatidylinositol 3-kinase, putative 0.0341 0.0481 0.1379
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.0216 0.3118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Brugia malayi Cyclin, N-terminal domain containing protein 0.0442 0.0692 0.5557
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Giardia lamblia Cathepsin B precursor 0.012 0.0018 0.0148
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0192 0.017 0.1363
Loa Loa (eye worm) hypothetical protein 0.0149 0.0079 0.0631
Loa Loa (eye worm) hypothetical protein 0.0442 0.0692 0.5557
Echinococcus multilocularis cyclin B 0.0442 0.0692 0.0692
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.012 0.0018 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus granulosus cyclin B 0.0442 0.0692 0.0692
Schistosoma mansoni hypothetical protein 0.0149 0.0079 0.0631
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0192 0.017 0.2454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Echinococcus multilocularis cyclin B3 1 0.0229 0.0246 0.0246
Trichomonas vaginalis cyclin D, putative 0.0229 0.0246 0.3554
Trypanosoma cruzi cyclin, putative 0.0442 0.0692 0.2067
Brugia malayi cathepsin B-like cysteine proteinase 0.0324 0.0446 0.3579
Loa Loa (eye worm) hypothetical protein 0.0214 0.0216 0.1732
Echinococcus granulosus cyclin dependent kinase 1 0.037 0.0543 0.0543
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0324 0.0446 0.3579
Trichomonas vaginalis cyclin B, putative 0.0442 0.0692 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Giardia lamblia Cyclin A 0.0229 0.0246 0.3482
Schistosoma mansoni cyclins 0.0229 0.0246 0.1975
Leishmania major cyclin 0.0442 0.0692 0.1986
Trypanosoma brucei RNA helicase, putative 0.043 0.0667 0.9648
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0149 0.0079 0.0079
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.037 0.0543 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Giardia lamblia G2/mitotic-specific cyclin B 0.0442 0.0692 1
Echinococcus multilocularis ribonuclease H1 0.0115 0.0008 0.0008
Loa Loa (eye worm) cathepsin B 0.012 0.0018 0.0143
Onchocerca volvulus 0.0442 0.0692 1
Trichomonas vaginalis cyclin A, putative 0.0442 0.0692 1
Echinococcus multilocularis cyclin dependent kinase 1 0.037 0.0543 0.0543
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Toxoplasma gondii target of rapamycin (TOR), putative 0.0341 0.0481 0.8856
Giardia lamblia GTOR 0.0341 0.0481 0.6913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus granulosus serine protein kinase ATM 0.0192 0.017 0.017
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0341 0.0481 0.1379
Leishmania major ribonuclease H1, putative 0.0115 0.0008 0.0022
Loa Loa (eye worm) hypothetical protein 0.0127 0.0033 0.0262
Echinococcus multilocularis cathepsin b 0.0324 0.0446 0.0446
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Leishmania major hypothetical protein, conserved 0.1776 0.3484 1
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Treponema pallidum ribonuclease H (rnhA) 0.0115 0.0008 0.5
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0341 0.0481 0.386
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0214 0.0216 0.3118
Trichomonas vaginalis CMGC family protein kinase 0.037 0.0543 0.7844
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.037 0.0543 0.1558
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0341 0.0481 0.0481
Trichomonas vaginalis ribonuclease H1, putative 0.0115 0.0008 0.011
Echinococcus granulosus ribonuclease H1 0.0115 0.0008 0.0008
Trichomonas vaginalis cyclin B3, putative 0.0229 0.0246 0.3554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trichomonas vaginalis cyclins, putative 0.0442 0.0692 1
Echinococcus multilocularis cyclin dependent kinase 5 0.037 0.0543 0.0543
Echinococcus granulosus cathepsin b 0.0324 0.0446 0.0446
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Toxoplasma gondii cathepsin B 0.012 0.0018 0.0327
Trichomonas vaginalis cyclin B, putative 0.0229 0.0246 0.3554
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0442 0.0692 0.1986
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Loa Loa (eye worm) hypothetical protein 0.0324 0.0446 0.3579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Giardia lamblia Cathepsin B precursor 0.012 0.0018 0.0148
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.012 0.0018 0.0257
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0341 0.0481 0.1436
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trypanosoma brucei ingi protein (ORF1) 0.0124 0.0028 0.0405
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0341 0.0481 0.1379
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0192 0.017 0.2454
Trichomonas vaginalis CMGC family protein kinase 0.037 0.0543 0.7844
Loa Loa (eye worm) hypothetical protein 0.0192 0.017 0.1363
Loa Loa (eye worm) cyclin domain-containing protein 0.0706 0.1245 1
Entamoeba histolytica cyclin family protein 0.0229 0.0246 0.3554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Giardia lamblia Kinase, CMGC CDK 0.037 0.0543 0.782
Trichomonas vaginalis cyclins, putative 0.0442 0.0692 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0192 0.017 0.1363
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0018 0.0143
Echinococcus multilocularis cyclin dependent kinase 1 0.037 0.0543 0.0543
Toxoplasma gondii FATC domain-containing protein 0.0192 0.017 0.3128
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0192 0.017 0.1363
Echinococcus multilocularis serine protein kinase ATM 0.0192 0.017 0.017
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0341 0.0481 0.6947
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.037 0.0543 0.4359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.0246 0.3554
Plasmodium vivax protein kinase Crk2 0.037 0.0543 1
Trichomonas vaginalis cyclin B, putative 0.0442 0.0692 1
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0341 0.0481 0.1436
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0341 0.0481 0.386
Entamoeba histolytica cyclin, putative 0.0229 0.0246 0.3554
Echinococcus granulosus cathepsin b 0.0324 0.0446 0.0446
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0706 0.1245 0.1245
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0324 0.0446 0.1332
Trypanosoma cruzi cdc2-related kinase 3 0.037 0.0543 0.1622
Trichomonas vaginalis cyclins, putative 0.0442 0.0692 1
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Schistosoma mansoni fkbp-rapamycin associated protein 0.0192 0.017 0.1363
Schistosoma mansoni phosphoglucomutase 0.0115 0.0008 0.0061
Trypanosoma cruzi cdc2-related kinase 1 0.037 0.0543 0.1622
Entamoeba histolytica protein kinase rad3, putative 0.0192 0.017 0.2454
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0341 0.0481 0.0481
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.0079 0.1135
Giardia lamblia Kinase, CMGC CDK 0.037 0.0543 0.782
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Loa Loa (eye worm) hypothetical protein 0.0442 0.0692 0.5557
Echinococcus multilocularis cyclin b3 0.0229 0.0246 0.0246
Echinococcus multilocularis cathepsin b 0.0324 0.0446 0.0446
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0214 0.0216 0.3974
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0341 0.0481 0.6947
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Entamoeba histolytica cyclin family protein 0.0229 0.0246 0.3554
Trypanosoma brucei mitotic cyclin 6 0.0442 0.0692 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Schistosoma mansoni serine/threonine protein kinase 0.037 0.0543 0.4359
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0341 0.0481 0.6947
Schistosoma mansoni cyclin B3 0.0706 0.1245 1
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Trichomonas vaginalis cyclins, putative 0.0268 0.0329 0.4756
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Schistosoma mansoni hypothetical protein 0.043 0.0667 0.5361
Loa Loa (eye worm) hypothetical protein 0.0366 0.0534 0.4292
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0124 0.0028 0.0405
Schistosoma mansoni phosphoglucomutase 0.0115 0.0008 0.0061
Loa Loa (eye worm) phosphatidylinositol 3 0.0341 0.0481 0.386
Plasmodium falciparum protein kinase 5 0.037 0.0543 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0127 0.0033 0.0097
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0341 0.0481 0.1436
Trichomonas vaginalis cyclin D, putative 0.0229 0.0246 0.3554
Trypanosoma brucei cdc2-related kinase 3 0.037 0.0543 0.7844
Toxoplasma gondii hypothetical protein 0.0173 0.013 0.2404
Trichomonas vaginalis CMGC family protein kinase 0.037 0.0543 0.7844
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.012 0.0018 0.0051
Trypanosoma cruzi hypothetical protein, conserved 0.1711 0.3346 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0324 0.0446 0.3579
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0341 0.0481 0.6947
Echinococcus multilocularis cyclin dependent kinase 0.037 0.0543 0.0543
Loa Loa (eye worm) phosphatidylinositol 3 0.0341 0.0481 0.386
Brugia malayi Cyclin, N-terminal domain containing protein 0.0706 0.1245 1
Schistosoma mansoni serine/threonine protein kinase 0.037 0.0543 0.4359
Trypanosoma brucei unspecified product 0.0124 0.0028 0.0405
Trypanosoma cruzi ribonuclease H1, putative 0.0115 0.0008 0.0023
Echinococcus granulosus cyclin dependent kinase 0.037 0.0543 0.0543
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.037 0.0543 0.4359
Entamoeba histolytica cell division protein kinase 2, putative 0.037 0.0543 0.7844
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0341 0.0481 0.0481
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0324 0.0446 0.3579
Brugia malayi Cyclin, N-terminal domain containing protein 0.0442 0.0692 0.5557
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0341 0.0481 0.1436
Trypanosoma cruzi ribonuclease H1, putative 0.0115 0.0008 0.0023
Giardia lamblia Hypothetical protein 0.0229 0.0246 0.3482
Trypanosoma brucei ingi protein (ORF1) 0.0124 0.0028 0.0405
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0341 0.0481 0.6947
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4891 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.0033 0.0471
Trypanosoma cruzi cdc2-related kinase 1 0.037 0.0543 0.1622
Brugia malayi RNase H family protein 0.0115 0.0008 0.0061
Entamoeba histolytica hypothetical protein 0.0192 0.017 0.2454
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0341 0.0481 0.386
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.037 0.0543 0.4359
Brugia malayi RNase H family protein 0.0115 0.0008 0.0061
Plasmodium falciparum cyclin 0.0229 0.0246 0.4531
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Brugia malayi cell division control protein 2 homolog 0.037 0.0543 0.4359
Trypanosoma cruzi cdc2-related kinase 3 0.037 0.0543 0.1622
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0706 0.1245 0.1245
Trichomonas vaginalis cyclins, putative 0.0442 0.0692 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus granulosus cyclin B3 1 0.0229 0.0246 0.0246
Schistosoma mansoni phosphoglucomutase 0.0115 0.0008 0.0061
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0192 0.017 0.0507
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.037 0.0543 0.1558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0192 0.017 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.037 0.0543 0.0543
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Trypanosoma cruzi CYC2-like cyclin, putative 0.0442 0.0692 0.2067
Giardia lamblia Cathepsin B precursor 0.012 0.0018 0.0148
Trypanosoma brucei ribonuclease H1 0.0115 0.0008 0.011
Entamoeba histolytica cyclin, putative 0.0442 0.0692 1
Brugia malayi FAT domain containing protein 0.0149 0.0079 0.0631
Trypanosoma cruzi target of rapamycin kinase 3 0.0341 0.0481 0.1436
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0341 0.0481 0.1379
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0341 0.0481 0.6947
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Brugia malayi RNase H family protein 0.0115 0.0008 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0149 0.0079 0.0079
Trypanosoma cruzi cyclin 6, putative 0.0442 0.0692 0.2067
Entamoeba histolytica cell division protein kinase 2, putative 0.037 0.0543 0.7844
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus granulosus cyclin b3 0.0229 0.0246 0.0246
Trichomonas vaginalis cyclin B, putative 0.0442 0.0692 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0341 0.0481 0.1379
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0324 0.0446 0.3579
Onchocerca volvulus Ribonuclease H1 homolog 0.0115 0.0008 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Brugia malayi Protein kinase domain containing protein 0.037 0.0543 0.4359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0214 0.0216 0.3118
Trypanosoma brucei hypothetical protein, conserved 0.0124 0.0028 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0127 0.0033 0.0471
Echinococcus granulosus cyclin dependent kinase 5 0.037 0.0543 0.0543
Toxoplasma gondii ribonuclease HI protein 0.0115 0.0008 0.014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0341 0.0481 0.0481

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 286 uM Effective dose required for smooth muscle contraction in human fetal artery ChEMBL. 7932541
EC50 (functional) = 286 uM Effective dose required for smooth muscle contraction in human fetal artery ChEMBL. 7932541
pD2 (binding) = 3.77 Pharmacological activity against C5a receptor in human fetal artery ChEMBL. 7932541
pD2 (binding) = 3.77 Pharmacological activity against C5a receptor in human fetal artery ChEMBL. 7932541
Platelet aggregation (functional) = 150 uM Platelet aggregation in guinea pig ChEMBL. 7932541

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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