Detailed information for compound 1187757

Basic information

Technical information
  • TDR Targets ID: 1187757
  • Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,1 2-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11 ,12,14,15,16,17-tetradecahydro-1H-cyclopenta[ a]phenanthren-17-yl]pentanamide
  • MW: 391.587 | Formula: C24H41NO3
  • H donors: 3 H acceptors: 3 LogP: 4.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N)C)C)C
  • InChi: 1S/C24H41NO3/c1-14(4-9-22(25)28)18-7-8-19-17-6-5-15-12-16(26)10-11-23(15,2)20(17)13-21(27)24(18,19)3/h14-21,26-27H,4-13H2,1-3H3,(H2,25,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
  • InChiKey: ZVCTWQGDLOOJGZ-LLQZFEROSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeramide

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 0.0232 0.5023 0.5023
Brugia malayi nuclear receptor NHR-88 0.0207 0.4426 0.4426
Brugia malayi beta-lactamase family protein 0.0035 0.0288 0.0288
Brugia malayi hypothetical protein 0.0232 0.5023 0.5023
Entamoeba histolytica hypothetical protein 0.0035 0.0285 0.9791
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0285 0.0045
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0291 0.0291
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0207 0.4426 0.4263
Onchocerca volvulus 0.0207 0.4426 0.4426
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0607 0.0607
Brugia malayi nuclear hormone receptor family member odr-7 0.0207 0.4426 0.4426
Schistosoma mansoni peptidylglycine monooxygenase 0.0132 0.2616 0.2434
Echinococcus granulosus thyroid hormone receptor alpha 0.0207 0.4426 0.4263
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0207 0.4426 0.4426
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0607 0.0607
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0889 0.0664
Brugia malayi nuclear hormone receptor family member nhr-6 0.0207 0.4426 0.4426
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0288 0.3236
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0288 0.0048
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0291 0.0291
Loa Loa (eye worm) beta-lactamase 0.0035 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0232 0.5023 0.5023
Brugia malayi hypothetical protein 0.0207 0.4426 0.4426
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Schistosoma mansoni hypothetical protein 0.0035 0.0285 0.0045
Echinococcus granulosus Nuclear hormone receptor HR96 0.0207 0.4426 0.4263
Onchocerca volvulus 0.0035 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0132 0.2616 0.2616
Entamoeba histolytica hypothetical protein 0.0035 0.0285 0.9791
Brugia malayi nuclear hormone receptor 0.0207 0.4426 0.4426
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0291 0.0006
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Echinococcus granulosus Nuclear hormone receptor HR96 0.0207 0.4426 0.4263
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0291 0.2989
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0288 0.9864
Loa Loa (eye worm) hypothetical protein 0.0048 0.0598 0.0598
Onchocerca volvulus 0.0047 0.057 0.057
Loa Loa (eye worm) DR-78 0.0207 0.4426 0.4426
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0207 0.4426 0.4263
Echinococcus multilocularis geminin 0.0167 0.3467 0.3275
Loa Loa (eye worm) hypothetical protein 0.0232 0.5023 0.5023
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0291 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0607 0.0607
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0291 1
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0248 0.5411 0.5298
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0889 0.0664
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0232 0.5023 0.4877
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0288 1
Leishmania major hypothetical protein, conserved 0.0024 0.0036 0.0407
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0288 0.0599
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0288 0.0288
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0288 0.9864
Schistosoma mansoni hypothetical protein 0.0167 0.3467 0.3306
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Entamoeba histolytica hypothetical protein 0.0035 0.0285 0.9791
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.3243 0.3243
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0207 0.4426 0.4289
Brugia malayi nuclear receptor RXR 0.0232 0.5023 0.5023
Loa Loa (eye worm) hypothetical protein 0.0232 0.5023 0.5023
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0248 0.5411 0.5411
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0036 0.5
Schistosoma mansoni alpha-glucosidase 0.0136 0.2715 0.2535
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0288 0.3236
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0291 0.3275
Echinococcus multilocularis tumor protein p63 0.0327 0.7299 0.722
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 1
Schistosoma mansoni dopamine-beta-monooxygenase 0.0132 0.2616 0.2434
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0598 0.0366
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0291 0.0006
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0132 0.2616 0.2616
Loa Loa (eye worm) hypothetical protein 0.0035 0.0288 0.0288
Mycobacterium ulcerans lipase LipD 0.0035 0.0288 0.3236
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0232 0.5023 0.49
Onchocerca volvulus 0.0035 0.0288 0.0288
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0889 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0288 0.0599
Echinococcus granulosus geminin 0.0167 0.3467 0.3275
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0291 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0232 0.5023 0.49
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0889 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0241 0.0241
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.3243 0.3045
Loa Loa (eye worm) nuclear hormone receptor 0.0207 0.4426 0.4426
Echinococcus granulosus tumor protein p63 0.0327 0.7299 0.722
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.4943 0.4794
Schistosoma mansoni nuclear receptor 0.0207 0.4426 0.4289
Loa Loa (eye worm) hypothetical protein 0.0035 0.0288 0.0288
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0288 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0207 0.4426 0.4263
Brugia malayi Nuclear hormone receptor-like 1 0.0232 0.5023 0.5023
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0889 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0291 0.0051
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0207 0.4426 0.4426
Onchocerca volvulus 0.0207 0.4426 0.4426
Loa Loa (eye worm) hypothetical protein 0.0035 0.0288 0.0288
Brugia malayi conserved hypotetical protein 0.0207 0.4426 0.4426
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0036 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0207 0.4426 0.4263
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0288 0.0599
Loa Loa (eye worm) hypothetical protein 0.0232 0.5023 0.5023
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0288 0.0599
Loa Loa (eye worm) hypothetical protein 0.0033 0.0241 0.0241
Schistosoma mansoni zinc finger protein 0.0207 0.4426 0.4289
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0288 0.0288
Mycobacterium ulcerans hypothetical protein 0.0035 0.0288 0.3236
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0067 0.1056 0.1056
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0291 1
Brugia malayi hypothetical protein 0.0229 0.4943 0.4943
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 1
Brugia malayi nuclear receptor RXR 0.0207 0.4426 0.4426
Brugia malayi beta-lactamase 0.0035 0.0288 0.0288
Brugia malayi ecdysone receptor 0.0207 0.4426 0.4426
Echinococcus granulosus nuclear receptor nhr 48 0.0207 0.4426 0.4263
Trypanosoma brucei glucosidase, putative 0.0035 0.0291 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0288 0.0288
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0288 0.0599
Brugia malayi Nuclear hormone receptor-like 1 0.0232 0.5023 0.5023
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0288 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0291 1
Brugia malayi hypothetical protein 0.0207 0.4426 0.4426
Brugia malayi tailless protein 0.0207 0.4426 0.4426
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0248 0.5411 0.5277
Brugia malayi hypothetical protein 0.0232 0.5023 0.5023
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0288 0.0599
Brugia malayi hypothetical protein 0.0024 0.0036 0.0036
Mycobacterium tuberculosis Conserved protein 0.0035 0.0288 0.0599
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0207 0.4426 0.4263
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Onchocerca volvulus 0.0091 0.1644 0.1644
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0288 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0207 0.4426 0.4426
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.4943 0.4794
Brugia malayi hypothetical protein 0.0035 0.0285 0.0285
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0065 0.1009 0.1009
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Brugia malayi Nuclear hormone receptor E75 0.0207 0.4426 0.4426
Mycobacterium tuberculosis Conserved protein 0.0035 0.0288 0.0599
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0291 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0889 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.3243 0.3045
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0288 0.9864
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0288 0.0048
Brugia malayi orphan nuclear receptor NR2E1 0.0207 0.4426 0.4426
Echinococcus multilocularis nuclear receptor nhr 48 0.0207 0.4426 0.4263
Schistosoma mansoni nuclear receptor 0.0207 0.4426 0.4289
Schistosoma mansoni alpha-glucosidase 0.0136 0.2715 0.2535
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Schistosoma mansoni survival motor neuron protein 0.0047 0.057 0.0337
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0291 1
Schistosoma mansoni nuclear hormone receptor 0.0207 0.4426 0.4289
Loa Loa (eye worm) hypothetical protein 0.0035 0.0288 0.0288
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0889 0.0622
Mycobacterium ulcerans beta-lactamase 0.0035 0.0288 0.3236
Loa Loa (eye worm) nuclear receptor NHR-67 0.0207 0.4426 0.4426
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0889 1
Onchocerca volvulus 0.0035 0.0288 0.0288
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.3243 0.3045
Schistosoma mansoni hypothetical protein 0.0167 0.3467 0.3306
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0291 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0288 0.0599
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0248 0.5411 0.5277
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0889 0.185
Loa Loa (eye worm) hypothetical protein 0.0207 0.4426 0.4426
Loa Loa (eye worm) hypothetical protein 0.0229 0.4943 0.4943
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0207 0.4426 0.4289
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0248 0.5411 0.5411
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.3243 0.3243
Toxoplasma gondii ABC1 family protein 0.0035 0.0288 0.2949
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0207 0.4426 0.4263
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.4806 1
Entamoeba histolytica hypothetical protein 0.0035 0.0285 0.9791
Schistosoma mansoni hypothetical protein 0.0047 0.057 0.0337
Brugia malayi nuclear receptor NHR-67 0.0207 0.4426 0.4426
Schistosoma mansoni nuclear receptor nhr-48 0.0207 0.4426 0.4289
Mycobacterium tuberculosis Conserved protein 0.0035 0.0288 0.0599
Loa Loa (eye worm) hypothetical protein 0.0035 0.0288 0.0288
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0207 0.4426 0.4263
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0232 0.5023 0.5023
Onchocerca volvulus 0.0048 0.0598 0.0598
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0288 0.0003
Brugia malayi Nuclear hormone receptor E75 0.0207 0.4426 0.4426
Brugia malayi beta-lactamase family protein 0.0035 0.0288 0.0288
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0207 0.4426 0.4426
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0291 1
Schistosoma mansoni nuclear hormone receptor 0.0207 0.4426 0.4289
Leishmania major hypothetical protein, conserved 0.0035 0.0288 0.3236
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0232 0.5023 0.4877
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0889 0.0622

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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