Detailed information for compound 1095907

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.49 | Formula: C24H28N2O4
  • H donors: 0 H acceptors: 2 LogP: 2.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C=C/1\CN2[C@H]3C[C@@H]1[C@@]1([C@@H]2C[C@]2(C1OC(=O)C)[C@@H]3N(C)c1c2cccc1)C(=O)OC
  • InChi: 1S/C24H28N2O4/c1-5-14-12-26-18-10-16(14)24(22(28)29-4)19(26)11-23(21(24)30-13(2)27)15-8-6-7-9-17(15)25(3)20(18)23/h5-9,16,18-21H,10-12H2,1-4H3/b14-5+/t16-,18-,19-,20+,21?,23+,24-/m0/s1
  • InChiKey: UBTOXVLVFCOIGT-KFNUSGDOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.4447 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0215 0.0215
Brugia malayi jmjC domain containing protein 0.006 0.1792 0.1522
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.3924 0.8342
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0797 0.0797
Loa Loa (eye worm) hypothetical protein 0.008 0.2635 0.2632
Trypanosoma brucei trypanothione reductase 0.0048 0.1291 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.4447 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.1291 0.1291
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.2635 0.5514
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.1291 0.3969
Schistosoma mansoni hypothetical protein 0.0253 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.1792 0.1792
Echinococcus multilocularis muscleblind protein 0.0153 0.5729 0.5729
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.4447 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.3924 0.8342
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.3924 0.8342
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0253 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.1463 0.2616
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1875 0.1872
Schistosoma mansoni apoptosis regulator bax 0.0253 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.2635 0.5
Echinococcus multilocularis zinc finger protein 0.002 0.0086 0.0086
Brugia malayi jmjC domain containing protein 0.0062 0.1875 0.1608
Loa Loa (eye worm) hypothetical protein 0.0153 0.5729 0.5727
Schistosoma mansoni bromodomain containing protein 0.0065 0.1986 0.1916
Leishmania major trypanothione reductase 0.0048 0.1291 0.5
Brugia malayi Bromodomain containing protein 0.0077 0.2495 0.2249
Loa Loa (eye worm) hypothetical protein 0.0153 0.5729 0.5727
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.2635 0.2635
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.2635 0.2571
Plasmodium vivax glutathione reductase, putative 0.0048 0.1291 0.3969
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.1875 0.1875
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.1463 0.0547
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.2635 0.5
Brugia malayi Probable ClpP-like protease 0.008 0.2635 0.2393
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.183 0.183
Loa Loa (eye worm) apoptosis regulator protein 0.0253 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.1463 0.1463
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0253 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.3924 0.8342
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.1291 0.1288
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0797 0.0797
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.2635 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.1792 0.1792
Echinococcus multilocularis muscleblind protein 1 0.0153 0.5729 0.5729
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.1291 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.1089 0.1086
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.1875 0.1804
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.1792 0.1792
Brugia malayi Bromodomain containing protein 0.0039 0.09 0.0601
Plasmodium falciparum thioredoxin reductase 0.0048 0.1291 0.3969
Plasmodium falciparum glutathione reductase 0.0048 0.1291 0.3969
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.2635 0.5
Brugia malayi Muscleblind-like protein 0.0153 0.5729 0.5588
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.183 0.183
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.1875 0.1804
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.3924 0.8705
Brugia malayi glutathione reductase 0.0048 0.1291 0.1005
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.2635 1
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0253 1 1
Echinococcus granulosus muscleblind protein 0.0153 0.5729 0.5729
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0253 1 1
Mycobacterium tuberculosis Probable reductase 0.011 0.3924 0.8342
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.1291 0.1291
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.2635 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.1463 0.1463
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.2635 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0253 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0132 0.0129
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0215 0.0215
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.2635 0.2635
Loa Loa (eye worm) hypothetical protein 0.0072 0.2309 0.2307
Schistosoma mansoni hypothetical protein 0.0021 0.0132 0.0046
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.1463 0.0547
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.2635 1
Loa Loa (eye worm) glutathione reductase 0.0048 0.1291 0.1288
Schistosoma mansoni hypothetical protein 0.0253 1 1
Echinococcus granulosus zinc finger protein 0.002 0.0086 0.0086
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.3924 0.8342
Toxoplasma gondii thioredoxin reductase 0.0048 0.1291 0.3969
Brugia malayi Thioredoxin reductase 0.0048 0.1291 0.1005
Loa Loa (eye worm) hypothetical protein 0.0039 0.0903 0.09
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.2635 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.4447 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1006 0.1003
Schistosoma mansoni hypothetical protein 0.0253 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.2635 1
Schistosoma mansoni jumonji domain containing protein 0.006 0.1792 0.172
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0215 0.013

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 22 % Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells at 50 uM after 30 mins by liquid scintillation counting ChEMBL. 20189404
Inhibition (binding) = 47.4 % Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells at 50 uM after 30 mins by liquid scintillation counting ChEMBL. 20189404

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.