Detailed information for compound 946606

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.705 | Formula: C29H48N2
  • H donors: 2 H acceptors: 0 LogP: 6.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@@H]1CC[C@]2([C@H](C1)CC=C1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC1NCCC1=C(C)C)C)C)C
  • InChi: 1S/C29H48N2/c1-18(2)22-12-15-31-27(22)16-19(3)24-8-9-25-23-7-6-20-17-21(30)10-13-28(20,4)26(23)11-14-29(24,25)5/h7,19-21,24-27,31H,6,8-17,30H2,1-5H3/t19-,20+,21-,24-,25+,26+,27?,28+,29-/m1/s1
  • InChiKey: VJHRMJFJZGQHMU-UGRPUGRDSA-N  

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
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0151 0.0202
Echinococcus granulosus GPCR family 3 C terminal 0.0013 0.0089 0.012
Schistosoma mansoni metabotropic glutamate receptor 0.0039 0.0658 0.0881
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0736 0.5161
Echinococcus multilocularis GPCR, family 2 0.0016 0.0152 0.0204
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0151 0.0202
Brugia malayi Cytochrome P450 family protein 0.0014 0.0115 0.0154
Schistosoma mansoni cytochrome P450 0.0014 0.0115 0.0154
Loa Loa (eye worm) hypothetical protein 0.0016 0.0152 0.0204
Brugia malayi beta-lactamase family protein 0.0073 0.1401 0.1876
Echinococcus multilocularis mitogen activated protein kinase 11 0.0192 0.3999 0.5355
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0151 0.0202
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0306 0.0702
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0306 0.0702
Onchocerca volvulus Poor gastrulation protein homolog 0.0013 0.0089 0.0637
Loa Loa (eye worm) acetyltransferase 0.0145 0.2971 0.3978
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.4863 0.6513
Loa Loa (eye worm) hypothetical protein 0.0021 0.0254 0.034
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0192 0.3999 0.5355
Echinococcus multilocularis muscleblind protein 1 0.0291 0.6137 0.8218
Toxoplasma gondii cytochrome p450 superfamily protein 0.0014 0.0115 0.0636
Entamoeba histolytica hypothetical protein 0.0036 0.0591 0.5207
Entamoeba histolytica hypothetical protein 0.0036 0.0591 0.5207
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.2971 0.3978
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.1401 0.2172
Brugia malayi P38 map kinase family protein 2 0.0192 0.3999 0.5355
Toxoplasma gondii ABC1 family protein 0.0073 0.1401 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0306 0.041
Echinococcus multilocularis geminin 0.0175 0.3613 0.4839
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.1401 0.1301
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0185 0.3827 0.5125
Echinococcus multilocularis mitogen activated protein kinase 14 0.0192 0.3999 0.5355
Schistosoma mansoni serine/threonine protein kinase 0.0352 0.7467 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.1401 0.1876
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0152 0.0204
Echinococcus multilocularis mitogen activated protein kinase 14 0.0192 0.3999 0.5355
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0306 0.0323
Mycobacterium ulcerans beta-lactamase 0.0073 0.1401 0.2172
Loa Loa (eye worm) hypothetical protein 0.0073 0.1401 0.1876
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.1401 0.1301
Schistosoma mansoni hypothetical protein 0.0016 0.0152 0.0204
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.1401 0.1876
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0185 0.3827 0.5125
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0352 0.7467 1
Schistosoma mansoni hypothetical protein 0.0175 0.3613 0.4839
Brugia malayi Receptor family ligand binding region containing protein 0.0021 0.0254 0.034
Treponema pallidum hypothetical protein 0.0286 0.6037 0.5
Echinococcus multilocularis GPCR, family 3, C terminal 0.0013 0.0089 0.012
Echinococcus multilocularis muscleblind protein 0.0291 0.6137 0.8218
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.1401 0.1301
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0736 0.0715
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0591 0.0792
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0306 0.041
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0736 0.0995
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0014 0.0115 0.022
Mycobacterium tuberculosis Conserved protein 0.0073 0.1401 0.1301
Leishmania major cytochrome p450-like protein 0.0014 0.0115 0.022
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0151 0.0202
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0352 0.7467 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0352 0.7467 1
Echinococcus granulosus muscleblind protein 0.0291 0.6137 0.8218
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0185 0.3827 0.5125
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0736 0.5161
Brugia malayi beta-lactamase family protein 0.0073 0.1401 0.1876
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0591 0.0792
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0014 0.0115 0.022
Brugia malayi Cytochrome P450 family protein 0.0023 0.0306 0.041
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0736 0.0986
Onchocerca volvulus 0.0073 0.1401 1
Onchocerca volvulus 0.0073 0.1401 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0151 0.0202
Echinococcus granulosus GPCR family 2 0.0016 0.0152 0.0204
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1401 0.2891
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0073 0.1389 0.1861
Echinococcus granulosus geminin 0.0175 0.3613 0.4839
Loa Loa (eye worm) beta-lactamase 0.0073 0.1401 0.1876
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0192 0.3999 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0151 0.031
Loa Loa (eye worm) hypothetical protein 0.005 0.0901 0.1206
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0901 0.1206
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0178 0.3679 0.4927
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0192 0.3999 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0013 0.0089 0.012
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0535 0.0716
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0192 0.3999 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1401 0.1876
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0185 0.3827 0.5125
Echinococcus granulosus c-Jun N-terminal kinases 0.0352 0.7467 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0306 0.0702
Loa Loa (eye worm) glutamate receptor 0.008 0.1554 0.2081
Loa Loa (eye worm) glutamate receptor 0.0032 0.0493 0.0661
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0013 0.0089 0.0637
Brugia malayi follicle stimulating hormone receptor 0.0232 0.4863 0.6513
Schistosoma mansoni hypothetical protein 0.0175 0.3613 0.4839
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0151 0.0202
Loa Loa (eye worm) hypothetical protein 0.0073 0.1401 0.1876
Echinococcus granulosus mitogen activated protein kinase 11 0.0192 0.3999 0.5355
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.3573 1
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.1401 0.1301
Brugia malayi Metabotropic glutamate receptor precursor. 0.008 0.1554 0.2081
Echinococcus multilocularis 0.0014 0.0115 0.0154
Loa Loa (eye worm) hypothetical protein 0.0073 0.1401 0.1876
Loa Loa (eye worm) hypothetical protein 0.0073 0.1401 0.1876
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.1401 0.1876
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0659 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0554 0.0742
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0152 0.0204
Leishmania major cytochrome p450-like protein 0.0023 0.0306 0.0702
Loa Loa (eye worm) hypothetical protein 0.0291 0.6137 0.8218
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0659 0.0863
Entamoeba histolytica hypothetical protein 0.0036 0.0591 0.5207
Echinococcus granulosus cytochrome P450 2K1 0.0014 0.0115 0.0154
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0152 0.0204
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.2971 0.3978
Loa Loa (eye worm) hypothetical protein 0.0099 0.1958 0.2622
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1401 0.1876
Leishmania major hypothetical protein, conserved 0.0073 0.1401 0.3459
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0554 0.0742
Loa Loa (eye worm) hypothetical protein 0.0013 0.0089 0.012
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.001 0.0027 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.1401 0.2172
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0185 0.3827 0.5125
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0535 0.0056
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0535 0.0716
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.2882 0.3859
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0151 0.031
Brugia malayi Muscleblind-like protein 0.0291 0.6137 0.8218
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.1401 0.1301
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0014 0.0115 0.022
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1401 0.3459
Schistosoma mansoni hypothetical protein 0.0014 0.0115 0.0154
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0286 0.6037 1
Trichomonas vaginalis rotamase, putative 0.0033 0.0535 0.0056
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.1401 0.3459
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0021 0.0254 0.034
Mycobacterium ulcerans lipase LipD 0.0073 0.1401 0.2172
Plasmodium vivax hypothetical protein, conserved 0.0073 0.1401 0.2125
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.0518 0.1235
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0185 0.3827 0.5125
Schistosoma mansoni hypothetical protein 0.0016 0.0152 0.0204
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.1401 0.1301
Schistosoma mansoni hypothetical protein 0.0016 0.0152 0.0204
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0518 0.1235
Brugia malayi beta-lactamase 0.0073 0.1401 0.1876
Mycobacterium ulcerans hypothetical protein 0.0073 0.1401 0.2172
Schistosoma mansoni hypothetical protein 0.0013 0.0089 0.012
Schistosoma mansoni hypothetical protein 0.0036 0.0591 0.0792
Schistosoma mansoni hypothetical protein 0.0034 0.0554 0.0742
Onchocerca volvulus 0.0073 0.1401 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0185 0.3827 0.5125
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0306 0.041
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0151 0.031
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1401 0.3459
Loa Loa (eye worm) cytochrome P450 0.0014 0.0115 0.0154
Echinococcus granulosus mitogen activated protein kinase 14 0.0192 0.3999 0.5355
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0152 0.0204
Schistosoma mansoni metabotropic glutamate receptor 0.0067 0.127 0.1701
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0151 0.0897
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0591 0.0792
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0286 0.6037 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.2971 0.3978
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0901 0.1206
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.1401 0.1301
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0151 0.031
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0518 0.1235
Echinococcus granulosus metabotropic glutamate receptor 5 0.0099 0.1958 0.2622
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1401 0.2891
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0286 0.6037 0.5991
Loa Loa (eye worm) hypothetical protein 0.0073 0.1401 0.1876
Mycobacterium tuberculosis Conserved protein 0.0073 0.1401 0.1301
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0152 0.0204
Trichomonas vaginalis esterase, putative 0.0073 0.1401 0.2891
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0151 0.0202
Brugia malayi metabotropic glutamate receptor type 2 0.0039 0.0658 0.0881
Mycobacterium tuberculosis Conserved protein 0.0073 0.1401 0.1301
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0192 0.3999 1
Mycobacterium leprae Probable lipase LipE 0.0073 0.1401 0.2172
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0286 0.6037 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0014 0.0115 0.022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0185 0.3827 0.5125
Brugia malayi Cytochrome P450 family protein 0.0052 0.0948 0.127
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0091 0.1793 0.2402
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0518 0.357
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0152 0.0204
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0014 0.0115 0.022
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0151 0.0202
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1401 0.2891
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0151 0.031
Brugia malayi isocitrate dehydrogenase 0.0016 0.0151 0.0202
Brugia malayi cytochrome P450 0.0014 0.0115 0.0154
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0518 0.1235
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0067 0.127 0.1701
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0021 0.0254 0.034
Schistosoma mansoni rotamase 0.0033 0.0535 0.0716
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1401 0.2891
Echinococcus multilocularis mitogen activated protein kinase 11 0.0192 0.3999 0.5355
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0099 0.1958 0.2622
Leishmania major cytochrome p450-like protein 0.0014 0.0115 0.022
Loa Loa (eye worm) hypothetical protein 0.0073 0.1401 0.1876
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0185 0.3827 0.5125
Echinococcus multilocularis expressed protein 0.0033 0.0535 0.0716
Echinococcus granulosus metabotropic glutamate receptor 2 0.0067 0.127 0.1701
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0659 1
Echinococcus granulosus expressed protein 0.0033 0.0535 0.0716
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0736 0.0715
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0306 0.041
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.1401 0.1876
Entamoeba histolytica hypothetical protein 0.0036 0.0591 0.5207
Loa Loa (eye worm) hypothetical protein 0.0291 0.6137 0.8218
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0152 0.0204
Schistosoma mansoni hypothetical protein 0.0016 0.0152 0.0204
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0901 0.1206
Loa Loa (eye worm) hypothetical protein 0.0178 0.3679 0.4927
Mycobacterium leprae conserved hypothetical protein 0.0073 0.1401 0.2172
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0151 0.0202
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0151 0.0897
Brugia malayi hypothetical protein 0.0036 0.0591 0.0792
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0286 0.6037 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0151 0.0036
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1401 0.2891
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0948 0.127

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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