Detailed information for compound 1942620

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-NRBMMUINSA-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 0.003 0.0341 0.0465
Loa Loa (eye worm) sugar transporter 0.0102 0.2052 0.2957
Echinococcus multilocularis integrin alpha ps 0.0066 0.1201 0.2161
Brugia malayi Integrin alpha pat-2 precursor 0.0148 0.316 0.4467
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0379 0.0354
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0366 0.116
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0163 1
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.003 0.0341 0.0387
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0102 0.2052 0.3918
Echinococcus granulosus integrin alpha ps 0.0032 0.0372 0.045
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0379 0.0358
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0341 0.0502
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0154 1
Schistosoma mansoni hypothetical protein 0.0102 0.2052 0.5076
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.2052 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0165 0.3579 0.3564
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0163 0.0049
Plasmodium vivax glycogen synthase kinase 3, putative 0.0099 0.1985 0.1967
Loa Loa (eye worm) hypothetical protein 0.0046 0.0714 0.1008
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0165 0.3579 0.5368
Echinococcus multilocularis protein kinase shaggy 0.0099 0.1985 0.3781
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0163 1
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0463 0.0441
Loa Loa (eye worm) integrin alpha pat-2 0.0228 0.5084 0.7377
Plasmodium vivax hexose transporter 0.0102 0.2052 0.2034
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0366 0.1423
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0099 0.1985 0.3781
Loa Loa (eye worm) integrin beta-2 0.0303 0.6883 1
Schistosoma mansoni integrin beta subunit 0.0178 0.3892 1
Entamoeba histolytica protein kinase, putative 0.0099 0.1985 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0163 0.0013
Brugia malayi intracellular kinase 0.0099 0.1985 0.2721
Toxoplasma gondii protein kinase, putative 0.0288 0.6533 1
Brugia malayi Kelch motif family protein 0.0046 0.0714 0.0832
Loa Loa (eye worm) hypothetical protein 0.0116 0.2397 0.3461
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0366 0.1423
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0463 0.1688
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0463 0.1688
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0099 0.1985 0.2871
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.003 0.0341 1
Schistosoma mansoni protein kinase 0.0032 0.0379 0.0602
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.003 0.0341 0.0279
Leishmania major glucose transporter, lmgt3 0.0032 0.0366 0.116
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0163 1
Echinococcus granulosus integrin alpha 3 0.0113 0.2331 0.4495
Schistosoma mansoni protein kinase 0.0032 0.0379 0.0602
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0163 1
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0463 0.0441
Brugia malayi hypothetical protein 0.0046 0.0714 0.0832
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0163 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Echinococcus multilocularis integrin alpha ps 0.0066 0.1201 0.2161
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.003 0.0341 0.0279
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Toxoplasma gondii facilitative glucose transporter GT1 0.0102 0.2052 0.2975
Plasmodium falciparum protein kinase 7 0.0288 0.6533 0.6526
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.1985 0.9662
Entamoeba histolytica protein kinase domain containing protein 0.0099 0.1985 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0379 0.0519
Trypanosoma cruzi hexose transporter 0.0032 0.0366 0.175
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.031 0.0323
Echinococcus granulosus protein kinase shaggy 0.0099 0.1985 0.3781
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0379 0.0358
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0379 0.1229
Brugia malayi Cam kinase protein 1 0.0032 0.0379 0.0335
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0463 0.0484
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0154 0.0668
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0154 0.0131
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0163 0.0049
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0463 0.2243
Loa Loa (eye worm) hypothetical protein 0.0112 0.2295 0.3312
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0099 0.1985 0.4898
Echinococcus multilocularis integrin beta 2 0.0224 0.4998 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0366 0.1423
Giardia lamblia Prolyl-tRNA synthetase 0.003 0.0341 0.1025
Echinococcus granulosus General substrate transporter 0.0087 0.1708 0.3209
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0379 0.0354
Plasmodium falciparum hexose transporter 0.0102 0.2052 0.2034
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Loa Loa (eye worm) hypothetical protein 0.0032 0.0372 0.0509
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0099 0.1985 0.3781
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Loa Loa (eye worm) hypothetical protein 0.0034 0.0438 0.0605
Entamoeba histolytica protein kinase, putative 0.0032 0.0379 0.1229
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0366 0.175
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Leishmania major glucose transporter, lmgt2 0.0032 0.0366 0.116
Schistosoma mansoni integrin alpha-ps 0.0066 0.1201 0.28
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0366 0.1423
Brugia malayi Sugar transporter family protein 0.0102 0.2052 0.282
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0379 0.0358
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0204
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0463 0.2243
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0163 0.3377
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0379 0.0358
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0154 0.0131
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Mycobacterium ulcerans hypothetical protein 0.0023 0.0163 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0099 0.1985 1
Giardia lamblia Kinase, CMGC GSK 0.0099 0.1985 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0366 0.116
Schistosoma mansoni glucose transport protein 0.0102 0.2052 0.5076
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0366 0.175
Brugia malayi Integrin beta pat-3 precursor 0.0303 0.6883 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0163 0.0049
Loa Loa (eye worm) hypothetical protein 0.0082 0.1568 0.2252
Schistosoma mansoni integrin alpha 0.0148 0.316 0.8042
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0463 0.1688
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Trypanosoma brucei glucose transporter 2A 0.0032 0.0366 0.116
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0379 0.0602
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0366 0.116
Plasmodium falciparum mitogen-activated protein kinase 2 0.0165 0.3579 0.3564
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Onchocerca volvulus 0.0099 0.1985 1
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0154 0.3046
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Echinococcus granulosus integrin beta 2 0.0224 0.4998 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0204 0.0264
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.031 0.0323
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0154 0.9363
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0099 0.1985 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0154 0.0191
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0163 0.0049
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
Trypanosoma brucei glucose transporter 1E 0.0032 0.0366 0.116
Echinococcus multilocularis integrin alpha 3 0.0113 0.2331 0.4495
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0341 0.0502
Entamoeba histolytica protein kinase, putative 0.0032 0.0379 0.1229
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0379 0.0519
Giardia lamblia Kinase, CMGC GSK 0.0099 0.1985 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0099 0.1985 0.286
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2052 0.3918
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0154 0.0342
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.1985 0.9662
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0163 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0099 0.1985 0.286
Schistosoma mansoni integrin alpha-ps 0.0034 0.0438 0.0759
Leishmania major protein kinase, putative 0.0032 0.0379 0.1229
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0204
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0379 0.0358
Schistosoma mansoni hypothetical protein 0.0032 0.0372 0.0583
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0379 0.0358
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0366 0.1423
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0366 0.1423
Echinococcus multilocularis integrin alpha ps 0.0032 0.0372 0.045
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0204
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0379 0.0354
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0379 0.1488
Schistosoma mansoni glucose transport protein 0.0102 0.2052 0.5076
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
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
Schistosoma mansoni protein kinase 0.0032 0.0379 0.0602
Schistosoma mansoni glucose transport protein 0.0102 0.2052 0.5076
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0072 0.4401
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0366 0.1423
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0163 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0163 0.3377
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.116
Echinococcus granulosus integrin alpha ps 0.0066 0.1201 0.2161
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0379 0.0358
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.003 0.0341 0.1297
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0163 0.0049
Trypanosoma brucei protein kinase, putative 0.0099 0.1985 1
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0366 0.175
Echinococcus multilocularis General substrate transporter 0.0087 0.1708 0.3209
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0163 0.0049
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.003 0.0341 0.0387
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0072 0.4401
Leishmania major glucose transporter, lmgt1 0.0032 0.0366 0.116
Entamoeba histolytica protein kinase domain containing protein 0.0099 0.1985 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0163 1
Plasmodium falciparum glycogen synthase kinase 3 0.0099 0.1985 0.1967
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0366 0.116
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0023 0.139
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0163 1
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0379 0.0358
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0154 0.9363
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0046 0.0714 0.1008
Loa Loa (eye worm) hypothetical protein 0.003 0.0341 0.0465
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.003 0.0341 0.1025
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0163 0.0013
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0112 0.2295 0.3182
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0379 0.0358
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0379 0.0465
Loa Loa (eye worm) hypothetical protein 0.0032 0.0379 0.0519

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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