Detailed information for compound 1501361

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 527.649 | Formula: C30H41NO7
  • H donors: 3 H acceptors: 5 LogP: 6.39 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: C/C=C/C/C=C(/C(CC/C(=C/C=C(/C(=O)c1c(O)cc(oc1=O)[C@@H](CC/C=C/NC(=O)OC)C)\C)/C)O)\C
  • InChi: 1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32-33H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+/t22-,24?/m1/s1
  • InChiKey: FPBHSTHTCPCNBS-RAQHVQIZSA-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
Schistosoma mansoni hypothetical protein 0.0032 0.0372 0.0583
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0163 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.2397 0.3461
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0163 1
Brugia malayi hypothetical protein 0.0046 0.0714 0.0832
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0463 0.1688
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0366 0.1423
Loa Loa (eye worm) hypothetical protein 0.0082 0.1568 0.2252
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.003 0.0341 0.0279
Schistosoma mansoni integrin alpha 0.0148 0.316 0.8042
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0366 0.1423
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0463 0.1688
Brugia malayi Kelch motif family protein 0.0046 0.0714 0.0832
Loa Loa (eye worm) integrin beta-2 0.0303 0.6883 1
Plasmodium falciparum glycogen synthase kinase 3 0.0099 0.1985 0.1967
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.003 0.0341 0.1297
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0463 0.0441
Mycobacterium ulcerans hypothetical protein 0.0023 0.0163 1
Trypanosoma cruzi hexose transporter 0.0032 0.0366 0.175
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.003 0.0341 0.0387
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.003 0.0341 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0163 0.0013
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0163 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0102 0.2052 0.3918
Loa Loa (eye worm) sugar transporter 0.0102 0.2052 0.2957
Schistosoma mansoni integrin beta subunit 0.0178 0.3892 1
Schistosoma mansoni integrin alpha-ps 0.0066 0.1201 0.28
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0165 0.3579 0.3564
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0099 0.1985 0.2871
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0204
Entamoeba histolytica protein kinase, putative 0.0032 0.0379 0.1229
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0463 0.0441
Plasmodium falciparum protein kinase 7 0.0288 0.6533 0.6526
Schistosoma mansoni glucose transport protein 0.0102 0.2052 0.5076
Entamoeba histolytica protein kinase domain containing protein 0.0099 0.1985 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0099 0.1985 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0163 1
Entamoeba histolytica protein kinase domain containing protein 0.0099 0.1985 1
Echinococcus multilocularis integrin beta 2 0.0224 0.4998 1
Brugia malayi Integrin beta pat-3 precursor 0.0303 0.6883 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Schistosoma mansoni protein kinase 0.0032 0.0379 0.0602
Brugia malayi Integrin alpha pat-2 precursor 0.0148 0.316 0.4467
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0379 0.0354
Echinococcus granulosus integrin alpha ps 0.0066 0.1201 0.2161
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0341 0.0502
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0163 0.0049
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0379 0.0335
Brugia malayi Sugar transporter family protein 0.0102 0.2052 0.282
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0379 0.0358
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0366 0.1423
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0154 0.0668
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Schistosoma mansoni protein kinase 0.0032 0.0379 0.0602
Toxoplasma gondii facilitative glucose transporter GT1 0.0102 0.2052 0.2975
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0163 0.0049
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0046 0.0714 0.1008
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Loa Loa (eye worm) hypothetical protein 0.0025 0.0204 0.0264
Loa Loa (eye worm) hypothetical protein 0.0032 0.0379 0.0519
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Echinococcus granulosus General substrate transporter 0.0087 0.1708 0.3209
Plasmodium falciparum hexose transporter 0.0102 0.2052 0.2034
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0379 0.0354
Trypanosoma brucei protein kinase, putative 0.0099 0.1985 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Entamoeba histolytica protein kinase, putative 0.0032 0.0379 0.1229
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0366 0.116
Plasmodium vivax hexose transporter 0.0102 0.2052 0.2034
Echinococcus multilocularis integrin alpha ps 0.0066 0.1201 0.2161
Trypanosoma brucei glucose transporter 2A 0.0032 0.0366 0.116
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0366 0.1423
Schistosoma mansoni integrin alpha-ps 0.0034 0.0438 0.0759
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0366 0.175
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0163 0.0049
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0463 0.0484
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0366 0.1423
Plasmodium vivax glycogen synthase kinase 3, putative 0.0099 0.1985 0.1967
Loa Loa (eye worm) hypothetical protein 0.0112 0.2295 0.3312
Echinococcus granulosus integrin beta 2 0.0224 0.4998 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0341 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.2052 1
Toxoplasma gondii protein kinase, putative 0.0288 0.6533 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0112 0.2295 0.3182
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0366 0.175
Giardia lamblia Kinase, CMGC GSK 0.0099 0.1985 1
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.031 0.0323
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0099 0.1985 0.3781
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0099 0.1985 0.4898
Leishmania major glucose transporter, lmgt2 0.0032 0.0366 0.116
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0379 0.0354
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0163 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0463 0.2243
Loa Loa (eye worm) hypothetical protein 0.0023 0.0154 0.0191
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0366 0.1423
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.003 0.0341 0.1025
Echinococcus granulosus integrin alpha 3 0.0113 0.2331 0.4495
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0154 0.0342
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0154 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0204
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Onchocerca volvulus 0.0099 0.1985 1
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0379 0.1488
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Echinococcus multilocularis protein kinase shaggy 0.0099 0.1985 0.3781
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0099 0.1985 0.286
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0463 0.1688
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0379 0.0358
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0163 0.0013
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0099 0.1985 0.286
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0163 1
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0379 0.0358
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0163 0.0049
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0099 0.1985 1
Loa Loa (eye worm) integrin alpha pat-2 0.0228 0.5084 0.7377
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0154 0.3046
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.003 0.0341 0.0279
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0366 0.116
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.031 0.0323
Echinococcus granulosus protein kinase shaggy 0.0099 0.1985 0.3781
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0379 0.0358
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0379 0.0602
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0379 0.0358
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0165 0.3579 0.5368
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0163 0.0049
Brugia malayi intracellular kinase 0.0099 0.1985 0.2721
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Leishmania major glucose transporter, lmgt3 0.0032 0.0366 0.116
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.1985 0.9662
Plasmodium vivax CDK-related protein kinase 6, putative 0.0432 1 1
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0366 0.175
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0163 1
Schistosoma mansoni glucose transport protein 0.0102 0.2052 0.5076
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0463 0.2243
Plasmodium falciparum mitogen-activated protein kinase 2 0.0165 0.3579 0.3564
Echinococcus multilocularis General substrate transporter 0.0087 0.1708 0.3209
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0154 0.0131
Leishmania major glucose transporter, lmgt1 0.0032 0.0366 0.116
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0072 0.4401
Loa Loa (eye worm) hypothetical protein 0.0046 0.0714 0.1008
Giardia lamblia Prolyl-tRNA synthetase 0.003 0.0341 0.1025
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.003 0.0341 0.0387
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0366 0.116
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0163 0.0013
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0379 0.0465
Loa Loa (eye worm) hypothetical protein 0.0034 0.0438 0.0605
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0379 0.0358
Echinococcus multilocularis integrin alpha 3 0.0113 0.2331 0.4495
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0379 0.0519
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0154 0.0131
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0341 0.0502
Echinococcus multilocularis integrin alpha ps 0.0066 0.1201 0.2161
Echinococcus granulosus integrin alpha ps 0.0032 0.0372 0.045
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0023 0.139
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0163 0.3377
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.1985 0.9662
Leishmania major protein kinase, putative 0.0032 0.0379 0.1229
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0072 0.4401
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0154 0.9363
Loa Loa (eye worm) hypothetical protein 0.003 0.0341 0.0465
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0099 0.1985 0.3781
Giardia lamblia Kinase, CMGC GSK 0.0099 0.1985 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Entamoeba histolytica protein kinase, putative 0.0099 0.1985 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0163 0.0049
Schistosoma mansoni protein kinase 0.0032 0.0379 0.0602
Schistosoma mansoni glucose transport protein 0.0102 0.2052 0.5076
Brugia malayi Cam kinase protein 1 0.0032 0.0379 0.0335
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0163 1
Trypanosoma brucei glucose transporter 1E 0.0032 0.0366 0.116
Schistosoma mansoni hypothetical protein 0.0102 0.2052 0.5076
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0366 0.116
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0163 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0366 0.1423
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0163 0.3377
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0154 0.9363
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0379 0.0358
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0379 0.0358
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0379 0.0519
Loa Loa (eye worm) hypothetical protein 0.0032 0.0372 0.0509
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0379 0.1229
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0204
Echinococcus multilocularis integrin alpha ps 0.0032 0.0372 0.045
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0379 0.0358
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116

Activities

No activities found for this compound.

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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