Detailed information for compound 2001748

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1205.45 | Formula: C69H80N12O8
  • H donors: 8 H acceptors: 8 LogP: 6.49 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: CN[C@H](C(=O)N[C@H]1CN(CC[C@@H]2N(C1=O)C(CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@@H](NC)C)C(=O)NC(c1ccccc1)c1ccccc1)C
  • InChi: 1S/C69H80N12O8/c1-44(70-3)62(82)74-56-42-78(39-37-54-33-35-58(80(54)66(56)86)64(84)76-60(48-17-9-5-10-18-48)49-19-11-6-12-20-49)68(88)72-52-29-25-46(26-30-52)41-47-27-31-53(32-28-47)73-69(89)79-40-38-55-34-36-59(81(55)67(87)57(43-79)75-63(83)45(2)71-4)65(85)77-61(50-21-13-7-14-22-50)51-23-15-8-16-24-51/h5-32,44-45,54-61,70-71H,33-43H2,1-4H3,(H,72,88)(H,73,89)(H,74,82)(H,75,83)(H,76,84)(H,77,85)/t44-,45-,54+,55+,56-,57-,58-,59?/m0/s1
  • InChiKey: DHBOEJJPDGNOTI-BICFXTAOSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens baculoviral IAP repeat containing 2 Starlite/ChEMBL No references
Homo sapiens X-linked inhibitor of apoptosis, E3 ubiquitin protein ligase Starlite/ChEMBL No references
Homo sapiens baculoviral IAP repeat containing 3 Starlite/ChEMBL No 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0656 0.5067 0.504
Entamoeba histolytica acyl-CoA synthetase, putative 0.0066 0.0114 0.0159
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0069 0.0136 0.0109
Entamoeba histolytica hypothetical protein 0.0406 0.297 0.7703
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0165 0.0941 0.9315
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0121 0.0577 0.3307
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0471 0.3515 0.443
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0547 0.4149 0.5255
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0069 0.0136 0.0707
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0636 0.4898 0.6231
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0656 0.5067 0.6451
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0528 0.3991 0.5049
Echinococcus multilocularis NADH dehydrogenase 0.0066 0.0114 0.008
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0163 0.093 0.0881
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0069 0.0136 0.0355
Mycobacterium ulcerans polyketide synthase 0.0697 0.5409 0.6897
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0528 0.3991 0.5049
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0165 0.0941 0.762
Mycobacterium tuberculosis Probable thioesterase TesA 0.0547 0.4149 0.5255
Mycobacterium tuberculosis Conserved protein 0.0198 0.1218 0.1437
Loa Loa (eye worm) hypothetical protein 0.0368 0.2645 0.2958
Loa Loa (eye worm) hypothetical protein 0.1102 0.8813 1
Onchocerca volvulus 0.1142 0.9147 0.9635
Echinococcus granulosus acyl carrier protein mitochondrial 0.0066 0.0114 0.008
Brugia malayi AMP-binding enzyme family protein 0.0202 0.1252 0.1204
Mycobacterium leprae Probable polyketide synthase Pks1 0.0697 0.5409 0.6897
Loa Loa (eye worm) hypothetical protein 0.0163 0.093 0.1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0403 0.0398
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.016 0.0904 0.1028
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0956 0.7589 1
Echinococcus multilocularis caspase 2 0.0075 0.0185 0.0173
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0331 0.2339 0.3033
Onchocerca volvulus 0.0075 0.0185 0.0075
Mycobacterium tuberculosis Polyketide synthase Pks13 0.098 0.7792 1
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0165 0.0941 1
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0066 0.0114 0.0159
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0373 0.269 0.3355
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0069 0.0136 0.0109
Entamoeba histolytica acyl-CoA synthetase, putative 0.0066 0.0114 0.0159
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0697 0.5409 0.6897
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0172 0.1006 0.262
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0206 0.1288 0.1529
Leishmania major phosphatidylinositol 3-kinase, putative 0.0069 0.0136 0.0707
Brugia malayi Cell death protein 3 precursor 0.0075 0.0185 0.0131
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0206 0.1288 0.1529
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0172 0.1006 0.2515
Loa Loa (eye worm) hypothetical protein 0.0331 0.2339 0.2609
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0094 0.0348 0.2822
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0165 0.0941 1
Loa Loa (eye worm) fatty acid synthase 0.0647 0.4994 0.564
Echinococcus multilocularis inhibitor of apoptosis protein 0.0163 0.093 0.1163
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0331 0.2339 0.2297
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0165 0.0941 0.1012
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0069 0.0136 0.0217
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0.0136 0.0042
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0202 0.1252 0.1481
Mycobacterium ulcerans polyketide synthase MbtD 0.0202 0.1252 0.1481
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0351 0.2506 0.6527
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0165 0.0941 0.1177
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0172 0.1006 0.262
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0636 0.4898 0.6231
Echinococcus granulosus caspase 2 0.0075 0.0185 0.0173
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0528 0.3991 0.5049
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0165 0.0941 0.1561
Onchocerca volvulus Cell death protein 3 homolog 0.0075 0.0185 0.0075
Mycobacterium ulcerans Type I modular polyketide synthase 0.0656 0.5067 0.6451
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0172 0.1006 0.262
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0956 0.7589 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0185 0.0149
Schistosoma mansoni hypothetical protein 0.0163 0.093 0.1163
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0406 0.297 0.7703
Schistosoma mansoni caspase-7 (C14 family) 0.0075 0.0185 0.0173
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0165 0.0941 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0656 0.5067 0.6451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0054 0.0141
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.051 0.3839 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.051 0.3839 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0069 0.0136 0.0217
Brugia malayi hypothetical protein 0.0075 0.0185 0.0131
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0165 0.0941 0.1177
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0165 0.0941 0.2342
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0172 0.1006 0.2515
Mycobacterium ulcerans polyketide synthase Pks9 0.0434 0.3201 0.402
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0101 0.0403 0.0376
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0069 0.0136 0.0217
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0165 0.0941 0.1076
Onchocerca volvulus Deterin homolog 0.0163 0.093 0.087
Schistosoma mansoni hypothetical protein 0.0066 0.0114 0.008
Brugia malayi Methyltransferase-like protein 4 0.0198 0.1218 0.117
Schistosoma mansoni acyl carrier protein 0.0066 0.0114 0.008
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.051 0.3839 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0165 0.0941 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0403 0.0398
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0697 0.5409 0.6897
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0163 0.093 0.1163
Leishmania major hypothetical protein, conserved 0.0198 0.1218 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0332 0.2342 0.4207
Echinococcus multilocularis AMP dependent ligase 0.0066 0.0114 0.008
Mycobacterium ulcerans polyketide synthase MbtC 0.0165 0.0941 0.1076
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0069 0.0136 0.0355
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0101 0.0403 0.0376
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0163 0.093 0.1163
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0165 0.0941 0.1177
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0331 0.2339 0.3033
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0069 0.0136 0.0109
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0069 0.0136 0.0217
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0247 0.1636 1
Echinococcus granulosus NADH dehydrogenase 0.0066 0.0114 0.008
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0434 0.3201 0.402
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0066 0.0114 0.0061
Mycobacterium ulcerans fatty acid synthase Fas 0.0206 0.1288 0.1529
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0054 0.0141
Loa Loa (eye worm) acyl carrier protein 0.0302 0.2091 0.2326
Mycobacterium tuberculosis Hypothetical protein 0.0198 0.1218 0.1437
Echinococcus granulosus apoptotic protease activating factor 1 0.0075 0.0185 0.0173
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0069 0.0136 0.0109
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0101 0.0403 0.0376
Mycobacterium ulcerans polyketide synthase 0.0656 0.5067 0.6451
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0165 0.0941 0.0891
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0069 0.0136 0.0355
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0613 0.4705 0.531
Toxoplasma gondii type I fatty acid synthase, putative 0.0697 0.5409 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0697 0.5409 0.6897
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.1006 0.0957
Loa Loa (eye worm) hypothetical protein 0.0163 0.093 0.1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0656 0.5067 0.6451
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0265 0.1786 0.2177
Brugia malayi Phosphopantetheine attachment site family protein 0.0066 0.0114 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0054 0.0141
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0697 0.5409 0.6897
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0155 0.0856 0.2119
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0066 0.0114 0.0061
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0069 0.0136 0.0109
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.051 0.3839 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0069 0.0136 0.0266
Schistosoma mansoni inhibitor of apoptosis protein 0.0163 0.093 0.1163
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0656 0.5067 0.6451
Trichomonas vaginalis conserved hypothetical protein 0.0198 0.1218 0.3171
Onchocerca volvulus 0.0163 0.093 0.087
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0165 0.0941 0.1076
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0351 0.2506 0.6527
Brugia malayi AMP-binding enzyme family protein 0.0613 0.4705 0.4676
Loa Loa (eye worm) hypothetical protein 0.0075 0.0185 0.0149
Echinococcus granulosus AMP dependent ligase 0.0066 0.0114 0.008
Mycobacterium ulcerans polyketide synthase Pks13 0.098 0.7792 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0656 0.5067 0.6451
Schistosoma mansoni methyltransferase-related 0.0198 0.1218 0.1544
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0.0136 0.0042
Echinococcus granulosus inhibitor of apoptosis protein 0.0163 0.093 0.1163
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0069 0.0136 0.0864
Onchocerca volvulus Fatty acid synthase homolog 0.1183 0.9489 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0228 0.147 0.374
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0066 0.0114 0.0069
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0613 0.4705 0.598
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.051 0.3839 0.3806
Giardia lamblia Methyltransferase like 2 0.0198 0.1218 0.7353
Loa Loa (eye worm) phosphatidylinositol 3 0.0853 0.6719 0.761
Toxoplasma gondii type I fatty acid synthase, putative 0.0467 0.348 0.6355
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0163 0.093 0.1163
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.051 0.3839 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0075 0.0185 0.0173
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0492 0.3689 0.9604
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0069 0.0136 0.0266
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0066 0.0114 0.008
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0163 0.093 0.0881
Loa Loa (eye worm) phosphatidylinositol 3 0.0155 0.0856 0.0916
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0434 0.3201 0.402
Echinococcus multilocularis Zinc finger, PHD finger 0.0069 0.0136 0.0109
Treponema pallidum acyl carrier protein 0.0066 0.0114 0.5
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0226 0.1452 0.1742
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0656 0.5067 0.6451
Schistosoma mansoni hypothetical protein 0.0075 0.0185 0.0173
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0956 0.7589 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.051 0.3839 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0172 0.1006 0.1263
Leishmania major acyl carrier protein, putative 0.0066 0.0114 0.0518
Mycobacterium leprae Polyketide synthase Pks13 0.098 0.7792 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0697 0.5409 0.6897
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0697 0.5409 0.6897
Mycobacterium ulcerans Type I modular polyketide synthase 0.0656 0.5067 0.6451
Toxoplasma gondii type I fatty acid synthase 0.0101 0.0403 0.0545
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0426 0.3132 0.5699
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0069 0.0136 0.0083
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0101 0.0403 0.0376
Loa Loa (eye worm) hypothetical protein 0.0179 0.1058 0.1146
Loa Loa (eye worm) acyl carrier protein 0.0066 0.0114 0.0069
Mycobacterium ulcerans Type I modular polyketide synthase 0.0656 0.5067 0.6451
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0172 0.1006 0.2515
Onchocerca volvulus 0.0613 0.4705 0.4897
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0697 0.5409 0.6897
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0069 0.0136 0.0094
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0101 0.0403 0.0376
Mycobacterium ulcerans thioesterase 0.0547 0.4149 0.5255
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0446 0.3308 0.3271
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0066 0.0114 0.0633
Mycobacterium ulcerans thioesterase TesA 0.0547 0.4149 0.5255
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0536 0.4063 0.5143
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0172 0.1006 1
Plasmodium vivax hypothetical protein, conserved 0.0094 0.0348 0.2822
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0165 0.0941 0.2342
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.098 0.7792 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) < 10 nM Fluorescence Polarization (FP) Based Competitive Assay BINDINGDB. No reference
IC50 (binding) < 100 nM BindingDB_Patents: Fluorescence Polarization (FP) Based Competitive Assay. Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238-349) proteins were determined by fluorescence polarization (FP) based competitive assays. For cIAP-1 BIR3 and cIAP-2 BIR3 assays, a fluorescently labeled Smac mimetic (Smac-2F) was used as the fluorescent probe. The Kd values of Smac-2F to cIAP-1 BIR3 and cIAP-2 BIR3 were determined by monitoring the total fluorescence polarization of mixtures composed with the fluorescent probe at a fixed concentration and proteins with increasing concentrations up to full saturation. Fluorescence polarization values were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Microfluor 2 96-well, black, round-bottom plates (Thermo Scientific). To each well, 1 nM of SMAC-2F and increasing concentrations of protein were added to a final volume of 125 ul in the assay buffer (100 mM potassium phosphate, pH 7.5). ChEMBL. No reference
IC50 (binding) < 100 nM Fluorescence Polarization (FP) Based Competitive Assay BINDINGDB. No reference

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

No literature references available for this target.

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