Detailed information for compound 401661

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)CC(C)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/c1-29(2)23-38(46(77)61-27-43(73)62-37(53(84)85)12-8-21-60-54(58)59)66-48(79)35(17-18-42(57)72)64-49(80)36(19-22-86)65-51(82)40(26-44(74)75)68-47(78)34(11-6-7-20-55)63-50(81)39(25-30-9-4-3-5-10-30)67-52(83)41(28-70)69-45(76)33(56)24-31-13-15-32(71)16-14-31/h3-5,9-10,13-16,29,33-41,70-71,86H,6-8,11-12,17-28,55-56H2,1-2H3,(H2,57,72)(H,61,77)(H,62,73)(H,63,81)(H,64,80)(H,65,82)(H,66,79)(H,67,83)(H,68,78)(H,69,76)(H,74,75)(H,84,85)(H4,58,59,60)/t33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
  • InChiKey: QFXCVFHXVNQRGM-JBRKIFEHSA-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) phosphatidylinositol 3 0.0341 0.0481 0.386
Loa Loa (eye worm) hypothetical protein 0.0366 0.0534 0.4292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Schistosoma mansoni hypothetical protein 0.043 0.0667 0.5361
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Schistosoma mansoni phosphoglucomutase 0.0115 0.0008 0.0061
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0124 0.0028 0.0405
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0341 0.0481 0.1436
Plasmodium falciparum protein kinase 5 0.037 0.0543 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0127 0.0033 0.0097
Toxoplasma gondii hypothetical protein 0.0173 0.013 0.2404
Trichomonas vaginalis CMGC family protein kinase 0.037 0.0543 0.7844
Trichomonas vaginalis cyclin D, putative 0.0229 0.0246 0.3554
Trypanosoma brucei cdc2-related kinase 3 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
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0324 0.0446 0.3579
Trypanosoma cruzi hypothetical protein, conserved 0.1711 0.3346 1
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
Trichomonas vaginalis cyclin B, putative 0.0442 0.0692 1
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Plasmodium vivax protein kinase Crk2 0.037 0.0543 1
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.0246 0.3554
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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0341 0.0481 0.1436
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
Echinococcus granulosus cathepsin b 0.0324 0.0446 0.0446
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0706 0.1245 0.1245
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Schistosoma mansoni phosphoglucomutase 0.0115 0.0008 0.0061
Schistosoma mansoni fkbp-rapamycin associated protein 0.0192 0.017 0.1363
Trichomonas vaginalis cyclins, putative 0.0442 0.0692 1
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
Trypanosoma cruzi cdc2-related kinase 1 0.037 0.0543 0.1622
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.0079 0.1135
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
Giardia lamblia Kinase, CMGC CDK 0.037 0.0543 0.782
Echinococcus multilocularis cathepsin b 0.0324 0.0446 0.0446
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0341 0.0481 0.6947
Entamoeba histolytica cyclin family protein 0.0229 0.0246 0.3554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0214 0.0216 0.3974
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0341 0.0481 0.6947
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Schistosoma mansoni cyclin B3 0.0706 0.1245 1
Trichomonas vaginalis cyclins, putative 0.0268 0.0329 0.4756
Trypanosoma brucei mitotic cyclin 6 0.0442 0.0692 1
Schistosoma mansoni serine/threonine protein kinase 0.037 0.0543 0.4359
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
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.037 0.0543 0.0543
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trypanosoma cruzi CYC2-like cyclin, putative 0.0442 0.0692 0.2067
Brugia malayi FAT domain containing protein 0.0149 0.0079 0.0631
Entamoeba histolytica cyclin, putative 0.0442 0.0692 1
Trypanosoma brucei ribonuclease H1 0.0115 0.0008 0.011
Trypanosoma cruzi target of rapamycin kinase 3 0.0341 0.0481 0.1436
Giardia lamblia Cathepsin B precursor 0.012 0.0018 0.0148
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
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
Brugia malayi RNase H family protein 0.0115 0.0008 0.0061
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0149 0.0079 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Trypanosoma cruzi cyclin 6, putative 0.0442 0.0692 0.2067
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
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 PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Entamoeba histolytica cell division protein kinase 2, putative 0.037 0.0543 0.7844
Echinococcus multilocularis cyclins 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
Onchocerca volvulus Ribonuclease H1 homolog 0.0115 0.0008 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0214 0.0216 0.3118
Brugia malayi Protein kinase domain containing protein 0.037 0.0543 0.4359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Trypanosoma brucei hypothetical protein, conserved 0.0124 0.0028 0.0405
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0324 0.0446 0.3579
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
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
Echinococcus granulosus cyclin dependent kinase 0.037 0.0543 0.0543
Entamoeba histolytica cell division protein kinase 2, putative 0.037 0.0543 0.7844
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.037 0.0543 0.4359
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
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
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
Giardia lamblia Hypothetical protein 0.0229 0.0246 0.3482
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0341 0.0481 0.6947
Trypanosoma brucei ingi protein (ORF1) 0.0124 0.0028 0.0405
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0341 0.0481 0.1436
Trypanosoma cruzi ribonuclease H1, putative 0.0115 0.0008 0.0023
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4891 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.0033 0.0471
Brugia malayi RNase H family protein 0.0115 0.0008 0.0061
Trypanosoma cruzi cdc2-related kinase 1 0.037 0.0543 0.1622
Entamoeba histolytica hypothetical protein 0.0192 0.017 0.2454
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
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0341 0.0481 0.386
Plasmodium falciparum cyclin 0.0229 0.0246 0.4531
Brugia malayi cell division control protein 2 homolog 0.037 0.0543 0.4359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trichomonas vaginalis cyclins, putative 0.0442 0.0692 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Schistosoma mansoni phosphoglucomutase 0.0115 0.0008 0.0061
Echinococcus granulosus cyclin B3 1 0.0229 0.0246 0.0246
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 PIKK family atypical protein kinase 0.0341 0.0481 0.6947
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 0.0192 0.017 0.2454
Trichomonas vaginalis cyclin D, putative 0.0229 0.0246 0.3554
Echinococcus multilocularis cyclin B3 1 0.0229 0.0246 0.0246
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0324 0.0446 0.3579
Echinococcus granulosus cyclin dependent kinase 1 0.037 0.0543 0.0543
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
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
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.037 0.0543 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0149 0.0079 0.0079
Schistosoma mansoni cyclins 0.0229 0.0246 0.1975
Trypanosoma brucei RNA helicase, putative 0.043 0.0667 0.9648
Leishmania major cyclin 0.0442 0.0692 0.1986
Giardia lamblia G2/mitotic-specific cyclin B 0.0442 0.0692 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.017 0.2454
Loa Loa (eye worm) cathepsin B 0.012 0.0018 0.0143
Echinococcus multilocularis ribonuclease H1 0.0115 0.0008 0.0008
Echinococcus multilocularis cyclin dependent kinase 1 0.037 0.0543 0.0543
Onchocerca volvulus 0.0442 0.0692 1
Trichomonas vaginalis cyclin A, putative 0.0442 0.0692 1
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 0.0192 0.017 0.2454
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 ribonuclease H1, putative 0.0115 0.0008 0.0022
Loa Loa (eye worm) hypothetical protein 0.0127 0.0033 0.0262
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0341 0.0481 0.1379
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0341 0.0481 0.386
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 cyclins, putative 0.0229 0.0246 0.3554
Loa Loa (eye worm) hypothetical protein 0.0213 0.0214 0.1716
Trypanosoma cruzi cyclin, putative 0.0442 0.0692 0.2067
Trichomonas vaginalis cyclin B, putative 0.0442 0.0692 1
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
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 granulosus serine:threonine protein kinase SMG1 0.0192 0.017 0.017
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.0216 0.3118
Leishmania major phosphatidylinositol 3-kinase, putative 0.0341 0.0481 0.1379
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0192 0.017 0.1363
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.012 0.0018 0.0053
Loa Loa (eye worm) hypothetical protein 0.0149 0.0079 0.0631
Echinococcus multilocularis cyclin B 0.0442 0.0692 0.0692
Loa Loa (eye worm) hypothetical protein 0.0442 0.0692 0.5557
Echinococcus granulosus cyclin B 0.0442 0.0692 0.0692
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0192 0.017 0.2454
Schistosoma mansoni hypothetical protein 0.0149 0.0079 0.0631
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0442 0.0692 0.1986
Toxoplasma gondii cathepsin B 0.012 0.0018 0.0327
Trichomonas vaginalis cyclin B, putative 0.0229 0.0246 0.3554
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
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 brucei ingi protein (ORF1) 0.0124 0.0028 0.0405
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0192 0.017 0.2454
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0341 0.0481 0.1379
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
Entamoeba histolytica cyclin family protein 0.0229 0.0246 0.3554
Loa Loa (eye worm) hypothetical protein 0.0192 0.017 0.1363
Trichomonas vaginalis CMGC family protein kinase 0.037 0.0543 0.7844
Loa Loa (eye worm) cyclin domain-containing protein 0.0706 0.1245 1
Trichomonas vaginalis cyclins, putative 0.0442 0.0692 1
Giardia lamblia Kinase, CMGC CDK 0.037 0.0543 0.782
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
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
Echinococcus multilocularis cyclin dependent kinase 1 0.037 0.0543 0.0543
Toxoplasma gondii FATC domain-containing protein 0.0192 0.017 0.3128
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
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
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Echinococcus multilocularis cathepsin b 0.0324 0.0446 0.0446
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Leishmania major hypothetical protein, conserved 0.1776 0.3484 1
Trichomonas vaginalis CMGC family protein kinase 0.037 0.0543 0.7844
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0214 0.0216 0.3118
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0341 0.0481 0.386
Treponema pallidum ribonuclease H (rnhA) 0.0115 0.0008 0.5
Echinococcus multilocularis cyclins 0.0229 0.0246 0.0246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0341 0.0481 0.0481
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.037 0.0543 0.1558
Trichomonas vaginalis ribonuclease H1, putative 0.0115 0.0008 0.011
Trichomonas vaginalis cyclin B3, putative 0.0229 0.0246 0.3554
Echinococcus granulosus ribonuclease H1 0.0115 0.0008 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.0481 0.6947
Echinococcus granulosus cathepsin b 0.0324 0.0446 0.0446
Echinococcus granulosus cyclins 0.0229 0.0246 0.0246
Trichomonas vaginalis cyclins, putative 0.0442 0.0692 1
Echinococcus multilocularis cyclin dependent kinase 5 0.037 0.0543 0.0543

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 11.2 uM Effective dose required for smooth muscle contraction in human fetal artery ChEMBL. 7932541
EC50 (functional) = 28.4 uM Effective dose of the compound required for smooth muscle contraction in Guinea pig lung parenchyma ChEMBL. 7932541
EC50 (functional) = 37.5 uM Effective dose required for smooth muscle contraction in guinea pig ileum ChEMBL. 7932541
pD2 (binding) = 4.51 Pharmacological activity against C5a receptor in guinea pig ileum ChEMBL. 7932541
pD2 (binding) = 4.56 Tested for pharmacological activity against C5a receptor in Guinea pig lung parenchyma ChEMBL. 7932541
pD2 (binding) = 5.05 Pharmacological activity against C5a receptor in human fetal artery ChEMBL. 7932541
Platelet aggregation (functional) = 22.9 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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