Detailed information for compound 1594312

Basic information

Technical information
  • TDR Targets ID: 1594312
  • Name: Oliverine hydrochloride
  • MW: 375.846 | Formula: C20H22ClNO4
  • H donors: 0 H acceptors: 0 LogP: 3.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1c2cc(OC)ccc2c2c3C1N(C)CCc3cc1c2OCO1.Cl
  • InChi: 1S/C20H21NO4.ClH/c1-21-7-6-11-8-15-20(25-10-24-15)17-13-5-4-12(22-2)9-14(13)19(23-3)18(21)16(11)17;/h4-5,8-9,18-19H,6-7,10H2,1-3H3;1H
  • InChiKey: XCRFUDLMWTVMSG-UHFFFAOYSA-N  

Network

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Synonyms

  • NSC287450

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
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 0.4315
Leishmania major DNA topoisomerase ii 0.0137 0.1512 0.5227
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0298 0.3918 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0153 0.1743 0.43
Treponema pallidum fructose-bisphosphate aldolase 0.0298 0.3918 1
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0153 0.1749 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0988 0.0592
Echinococcus multilocularis microtubule associated protein 2 0.0703 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0137 0.1512 0.5227
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.1604 0.1604
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.1633 0.925
Loa Loa (eye worm) hypothetical protein 0.0644 0.9113 0.9755
Giardia lamblia DNA topoisomerase II 0.0146 0.1642 0.4118
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0153 0.1749 0.1874
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0153 0.1743 0.1743
Schistosoma mansoni DNA topoisomerase II 0.0153 0.1743 0.1743
Brugia malayi nuclear hormone receptor 0.0658 0.933 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0153 0.1749 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0153 0.1749 0.4463
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 0.4315
Plasmodium falciparum DNA gyrase subunit B 0.005 0.0204 0.0927
Chlamydia trachomatis DNA gyrase subunit B 0.0083 0.0694 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0137 0.1512 0.5227
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0153 0.1749 1
Brugia malayi acetyltransferase, GNAT family protein 0.0148 0.1666 0.1785
Brugia malayi Probable DNA topoisomerase II 0.0153 0.1743 0.1868
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0137 0.1512 0.5227
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.005 0.0204 0.0624
Plasmodium vivax DNA topoisomerase II, putative 0.0153 0.1743 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.3918 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0674 0.9573 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0148 0.1666 0.1666
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0153 0.1749 0.4315
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0047 0.0121
Loa Loa (eye worm) acetyltransferase 0.0148 0.1666 0.1356
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0153 0.1743 0.1868
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0148 0.1666 0.1666
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0658 0.933 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.3918 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.1749 0.1449
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.3918 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.1633 0.5
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.005 0.0204 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0102 0.0102
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0153 0.1743 0.1743
Loa Loa (eye worm) TOPoisomerase family member 0.0153 0.1743 0.1443
Entamoeba histolytica DNA topoisomerase II, putative 0.0153 0.1743 0.4448
Plasmodium vivax DNA gyrase subunit B, putative 0.005 0.0204 0.0626
Mycobacterium ulcerans hypothetical protein 0.0153 0.1749 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.1633 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0153 0.1743 0.1868
Schistosoma mansoni microtubule-associated protein tau 0.0703 1 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0153 0.1743 0.9965
Loa Loa (eye worm) hypothetical protein 0.0102 0.0988 0.0592
Plasmodium falciparum DNA topoisomerase 2 0.0153 0.1743 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0137 0.1512 0.5227

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6.034 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.908 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.778 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.741 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.7 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.615 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.596 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.579 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.553 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.543 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.267 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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