Detailed information for compound 155113

Basic information

Technical information
  • TDR Targets ID: 155113
  • Name: (4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14 a-dodecahydroisoquinolino[3,2-a]$b-carboline
  • MW: 280.407 | Formula: C19H24N2
  • H donors: 1 H acceptors: 0 LogP: 4.39 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CC[C@@H]2[C@@H](C1)C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1
  • InChi: 1S/C19H24N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-8,13-14,18,20H,1-2,5-6,9-12H2/t13-,14-,18-/m0/s1
  • InChiKey: JUPDIHMJFPDGMY-DEYYWGMASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • alloyohimbane
  • 523-06-8
  • Yohimbane
  • CHEBI:35631
  • yohimban
  • BRN 4909341
  • Deoxyohimbol

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 multilocularis nibrin 0.0029 0.0172 0.0225
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0029 0.0172 0.3549
Loa Loa (eye worm) hypothetical protein 0.0184 0.1507 0.1507
Echinococcus granulosus mothers against decapentaplegic 2 0.0019 0.0087 0.0113
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0065 0.0485 1
Schistosoma mansoni dishevelled 0.0009 0.0002 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0172 1
Schistosoma mansoni DNA ligase IV 0.0029 0.0172 0.0225
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0029 0.0172 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0065 0.0485 1
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0134 0.2417
Brugia malayi DKFZp564C0469 protein 0.0029 0.0172 0.0172
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0029 0.0172 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0085 0.1754
Leishmania major hypothetical protein, conserved 0.0024 0.0134 0.2417
Loa Loa (eye worm) RNA binding protein 0.0899 0.7644 0.7644
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0042 0.0287 0.0376
Loa Loa (eye worm) hypothetical protein 0.0029 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.0371 0.3112 0.4072
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0065 0.0485 0.5
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0029 0.0172 0.324
Entamoeba histolytica hypothetical protein 0.0029 0.0172 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.119 0.119
Echinococcus granulosus tar DNA binding protein 0.0899 0.7644 1
Echinococcus granulosus Smad4 0.0042 0.0287 0.0376
Trypanosoma cruzi FHA domain containing protein, putative 0.0029 0.0172 0.324
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0069 0.009
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0371 0.3112 0.4072
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0371 0.3112 0.4072
Echinococcus multilocularis GPCR, family 2 0.0371 0.3112 0.4072
Echinococcus granulosus mothers against decapentaplegic 6 0.0019 0.0087 0.0113
Brugia malayi MH1 domain containing protein 0.0023 0.0125 0.0125
Schistosoma mansoni topbp1 0.0029 0.0172 0.0225
Schistosoma mansoni tar DNA-binding protein 0.0899 0.7644 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0002 0.0002
Toxoplasma gondii hypothetical protein 0.0009 0.0002 0.005
Echinococcus multilocularis isocitrate dehydrogenase 0.0065 0.0485 0.0635
Schistosoma mansoni smad1 5 8 and 0.0042 0.0287 0.0376
Brugia malayi MH2 domain containing protein 0.0042 0.0287 0.0287
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0134 0.2764
Schistosoma mansoni hypothetical protein 0.0011 0.0019 0.0024
Loa Loa (eye worm) hypothetical protein 0.0802 0.6812 0.6812
Loa Loa (eye worm) hypothetical protein 0.0029 0.0172 0.0172
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0065 0.0485 0.0635
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0002 0.0003
Echinococcus granulosus TGF beta signal transducer SmadC 0.0042 0.0287 0.0376
Schistosoma mansoni Smad4 0.0019 0.0087 0.0113
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0065 0.0485 1
Schistosoma mansoni smad1 5 8 and 0.0042 0.0287 0.0376
Brugia malayi isocitrate dehydrogenase 0.0065 0.0485 0.0485
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0371 0.3112 0.3112
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0107 0.014
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0899 0.7644 0.7644
Echinococcus granulosus nibrin 0.0029 0.0172 0.0225
Loa Loa (eye worm) hypothetical protein 0.0029 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0019 0.0087 0.0087
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0371 0.3112 0.3112
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0172 0.324
Schistosoma mansoni smad 0.0042 0.0287 0.0376
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0019 0.0024
Echinococcus granulosus GPCR family 2 0.0371 0.3112 0.4072
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0042 0.0287 0.0376
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0002 0.0003
Brugia malayi N-terminal motif family protein 0.0184 0.1507 0.1507
Echinococcus granulosus bloom syndrome protein 0.0021 0.0107 0.014
Brugia malayi MH2 domain containing protein 0.0019 0.0087 0.0087
Brugia malayi DIX domain containing protein 0.0009 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0002 0.0003
Brugia malayi RNA binding protein 0.0899 0.7644 0.7644
Echinococcus multilocularis mothers against decapentaplegic 5 0.0042 0.0287 0.0376
Echinococcus multilocularis smad 0.0042 0.0287 0.0376
Brugia malayi mothers against decapentaplegic homolog 3 0.0019 0.0087 0.0087
Brugia malayi TAR-binding protein 0.0899 0.7644 0.7644
Schistosoma mansoni tar DNA-binding protein 0.0899 0.7644 1
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0002 0.0002
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0134 0.2764
Brugia malayi MH1 domain containing protein 0.0023 0.0125 0.0125
Brugia malayi topoisomerase 0.0029 0.0172 0.0172
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0065 0.0485 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0042 0.0287 0.0287
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0002 0.0003
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0065 0.0485 0.0635
Brugia malayi hypothetical protein 0.0029 0.0172 0.0172
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0371 0.3112 0.4072
Loa Loa (eye worm) hypothetical protein 0.0029 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0029 0.0172 0.0172
Echinococcus granulosus replication factor c subunit 1 0.0029 0.0172 0.0225
Loa Loa (eye worm) latrophilin receptor protein 2 0.0371 0.3112 0.3112
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0019 0.0087 0.0559
Brugia malayi MH1 domain containing protein 0.0042 0.0287 0.0287
Loa Loa (eye worm) MH1 domain-containing protein 0.0042 0.0287 0.0287
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0029 0.0172 1
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0134 0.1967
Brugia malayi hypothetical protein 0.0147 0.119 0.119
Plasmodium vivax replication factor C subunit 1, putative 0.0029 0.0172 0.2839
Toxoplasma gondii isocitrate dehydrogenase 0.0065 0.0485 1
Brugia malayi MH2 domain containing protein 0.0042 0.0287 0.0287
Chlamydia trachomatis DNA ligase 0.0029 0.0172 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0619 0.5246 0.5246
Onchocerca volvulus 0.0029 0.0172 0.1129
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0002 0.0003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0065 0.0485 0.0635
Loa Loa (eye worm) hypothetical protein 0.0023 0.0125 0.0125
Brugia malayi hypothetical protein 0.0029 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Loa Loa (eye worm) isocitrate dehydrogenase 0.0065 0.0485 0.0485
Schistosoma mansoni smad 0.0019 0.0087 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0172 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0184 0.1507 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0029 0.0172 1
Loa Loa (eye worm) TAR-binding protein 0.0899 0.7644 0.7644
Schistosoma mansoni tar DNA-binding protein 0.0899 0.7644 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0029 0.0172 0.0225
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1173 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0065 0.0485 1
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0002 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0172 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0029 0.0172 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.1173 1 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0019 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0172 1
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0029 0.0172 0.324
Trichomonas vaginalis replication factor C large subunit, putative 0.0029 0.0172 1
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0002 0.0003
Schistosoma mansoni Smad4 0.0019 0.0087 0.0113
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0134 0.2764
Loa Loa (eye worm) MH2 domain-containing protein 0.0619 0.5246 0.5246
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0134 0.2417
Loa Loa (eye worm) hypothetical protein 0.0029 0.0172 0.0172
Giardia lamblia Replication factor C, subunit 1 0.0029 0.0172 1
Loa Loa (eye worm) nuclear factor I 0.0023 0.0125 0.0125
Brugia malayi MH2 domain containing protein 0.0619 0.5246 0.5246
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0002 0.0003
Brugia malayi Calcitonin receptor-like protein seb-1 0.1173 1 1
Brugia malayi Isocitrate dehydrogenase 0.0065 0.0485 0.0485
Brugia malayi Pax transcription activation domain interacting protein 0.0029 0.0172 0.0172
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0002 0.0002
Treponema pallidum DNA ligase (lig) 0.0029 0.0172 0.5
Brugia malayi Latrophilin receptor protein 2 0.0371 0.3112 0.3112
Schistosoma mansoni hypothetical protein 0.0371 0.3112 0.4072
Onchocerca volvulus 0.0147 0.119 0.7895
Loa Loa (eye worm) RecQ helicase 0.0021 0.0107 0.0107
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0002 0.0003
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0002 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0899 0.7644 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0002 0.0003
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0029 0.0172 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0107 0.5675
Brugia malayi hypothetical protein 0.0016 0.006 0.006
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0065 0.0485 0.0635
Brugia malayi latrophilin 2 splice variant baaae 0.0802 0.6812 0.6812
Echinococcus granulosus smad 0.0042 0.0287 0.0376
Brugia malayi hypothetical protein 0.0009 0.0002 0.0002
Brugia malayi RNA recognition motif domain containing protein 0.0899 0.7644 0.7644
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0029 0.0172 0.0172
Brugia malayi hypothetical protein 0.0009 0.0002 0.0002
Echinococcus multilocularis mothers against decapentaplegic 2 0.0019 0.0087 0.0113
Schistosoma mansoni smad1 5 8 and 0.0042 0.0287 0.0376
Toxoplasma gondii isocitrate dehydrogenase 0.0065 0.0485 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0029 0.0172 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0029 0.0172 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0042 0.0287 0.0376
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0371 0.3112 0.4072
Plasmodium falciparum replication factor C subunit 1, putative 0.0029 0.0172 0.3549
Schistosoma mansoni Smad4 0.0042 0.0287 0.0376
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0172 1
Loa Loa (eye worm) Smad1 0.0042 0.0287 0.0287
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0002 0.0002
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0107 0.5675
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0134 0.2417
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0065 0.0485 0.0635
Echinococcus multilocularis Smad4 0.0042 0.0287 0.0376
Schistosoma mansoni dishevelled 0.0009 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0802 0.6812 0.8912
Loa Loa (eye worm) MH1 domain-containing protein 0.0019 0.0087 0.0087
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0002 0.0003
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.000000000034363 0.00000000070819
Schistosoma mansoni hypothetical protein 0.0371 0.3112 0.4072
Loa Loa (eye worm) MH2 domain-containing protein 0.0019 0.0087 0.0087
Echinococcus multilocularis replication factor c subunit 1 0.0029 0.0172 0.0225
Brugia malayi hypothetical protein 0.0024 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0017 0.007 0.007
Brugia malayi Smad1 0.0042 0.0287 0.0287
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0371 0.3112 0.4072
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0065 0.0485 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0002 0.0003
Echinococcus multilocularis mothers against decapentaplegic 6 0.0019 0.0087 0.0113
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0065 0.0485 0.0635
Schistosoma mansoni topbp1 0.0029 0.0172 0.0225
Toxoplasma gondii ATPase, AAA family protein 0.0029 0.0172 0.3549
Schistosoma mansoni tar DNA-binding protein 0.0899 0.7644 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0065 0.0485 1
Brugia malayi MH1 domain containing protein 0.0042 0.0287 0.0287
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0172 0.324
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0047 0.0962
Echinococcus multilocularis tar DNA binding protein 0.0899 0.7644 1
Schistosoma mansoni dep domain containing protein 0.0009 0.0002 0.0003

Activities

Activity type Activity value Assay description Source Reference
-Log KB (binding) = 7.26 Binding affinity analysed for 5-HT 2B receptor in rat stomach fundus ChEMBL. 8709108

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.