Detailed information for compound 1607015

Basic information

Technical information
  • TDR Targets ID: 1607015
  • Name: N-[(10-methylanthracen-9-yl)methylideneamino] -2-[2-[(2E)-2-[(10-methylanthracen-9-yl)methy lidene]hydrazinyl]-2-oxoethyl]sulfanylacetami de
  • MW: 582.714 | Formula: C36H30N4O2S
  • H donors: 2 H acceptors: 2 LogP: 8.56 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N/N=C/c1c2ccccc2c(c2c1cccc2)C)CSCC(=O)N/N=C/c1c2ccccc2c(c2c1cccc2)C
  • InChi: 1S/C36H30N4O2S/c1-23-25-11-3-7-15-29(25)33(30-16-8-4-12-26(23)30)19-37-39-35(41)21-43-22-36(42)40-38-20-34-31-17-9-5-13-27(31)24(2)28-14-6-10-18-32(28)34/h3-20H,21-22H2,1-2H3,(H,39,41)(H,40,42)/b37-19+,38-20+
  • InChiKey: BPQKRZGNIIZLIA-RIOOQTRLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(10-methyl-9-anthryl)methyleneamino]-2-[2-[(N'E)-N'-[(10-methyl-9-anthryl)methylene]hydrazino]-2-oxo-ethyl]sulfanyl-acetamide
  • N-[(10-methyl-9-anthryl)methyleneamino]-2-[[2-[(N'E)-N'-[(10-methyl-9-anthryl)methylene]hydrazino]-2-oxoethyl]thio]acetamide
  • 2-[[2-keto-2-[(N'E)-N'-[(10-methyl-9-anthryl)methylene]hydrazino]ethyl]thio]-N-[(10-methyl-9-anthryl)methyleneamino]acetamide
  • N-[(10-methylanthracen-9-yl)methylideneamino]-2-[2-[(2E)-2-[(10-methylanthracen-9-yl)methylidene]hydrazinyl]-2-oxo-ethyl]sulfanyl-ethanamide
  • (10-methyl-anthracen-9-yl-methylene-hydrazinocarbonylmethyls ulfanyl)-acetic acid (10-methyl-anthracen-9yl-methylene)-hydrazide
  • NSC724341

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 0.0053 0.0879 0.1235
Loa Loa (eye worm) sema domain-containing protein 0.0053 0.0879 0.1235
Brugia malayi hypothetical protein 0.0053 0.0879 0.0916
Loa Loa (eye worm) hypothetical protein 0.0033 0.025 0.0352
Loa Loa (eye worm) hypothetical protein 0.0053 0.0879 0.1235
Schistosoma mansoni semaphorin 5-related 0.0053 0.0879 0.0396
Schistosoma mansoni plexin 0.0128 0.3207 0.2962
Onchocerca volvulus 0.0128 0.3207 1
Loa Loa (eye worm) sema domain-containing protein 0.0053 0.0879 0.1235
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0182 0.4914 1
Trypanosoma cruzi DNA repair protein, putative 0.0043 0.0564 0.1147
Brugia malayi WGR domain containing protein 0.0182 0.4914 0.5122
Trypanosoma brucei Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0043 0.0564 0.1147
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0158 0.4144 0.3994
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0332 0.9593 1
Echinococcus multilocularis semaphorin 5B 0.0053 0.0879 0.0512
Loa Loa (eye worm) hypothetical protein 0.0253 0.7114 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0879 0.1235
Loa Loa (eye worm) plexin A 0.0151 0.3939 0.5537
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.033 0.5
Echinococcus granulosus WGR domain containing protein 0.0103 0.2434 0.2205
Leishmania major DNA repair protein, putative 0.0043 0.0564 1
Brugia malayi Sema domain containing protein 0.0053 0.0879 0.0916
Loa Loa (eye worm) hypothetical protein 0.0053 0.0879 0.1235
Trypanosoma cruzi Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0043 0.0564 0.1147
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0 0.5
Brugia malayi WGR domain containing protein 0.0332 0.9593 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0564 0.0793
Brugia malayi Plexin repeat family protein 0.0128 0.3207 0.3343
Echinococcus granulosus poly ADP ribose polymerase 1 0.0332 0.9593 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0052 0.0821 0.0449
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0182 0.4914 0.4843
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0332 0.9593 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.033 0.5
Brugia malayi hypothetical protein 0.0053 0.0879 0.0916
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0182 0.4914 0.4905
Echinococcus multilocularis hypothetical protein 0.0053 0.0879 0.0512
Echinococcus multilocularis plexin a4 0.0151 0.3939 0.3843
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0409 0.0575
Brugia malayi Sema domain containing protein 0.0053 0.0879 0.0916
Loa Loa (eye worm) hypothetical protein 0.0182 0.4914 0.6908
Echinococcus granulosus semaphorin 1A 0.0053 0.0879 0.0512
Loa Loa (eye worm) hypothetical protein 0.0053 0.0879 0.1235
Echinococcus granulosus plexin a4 0.0151 0.3939 0.3843
Echinococcus granulosus semaphorin 5B 0.0053 0.0879 0.0512
Schistosoma mansoni hypothetical protein 0.0053 0.0879 0.0396
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0409 0.0426
Entamoeba histolytica hypothetical protein 0.0052 0.0821 0.0724
Echinococcus granulosus poly (ADP ribose) polymerase 0.0052 0.0821 0.0449
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0332 0.9593 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.3207 0.4508
Loa Loa (eye worm) hypothetical protein 0.0074 0.1536 0.2159
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0076 0.1591 0.1287
Brugia malayi plexin A 0.0151 0.3939 0.4106
Schistosoma mansoni hypothetical protein 0.0074 0.1536 0.112
Schistosoma mansoni hypothetical protein 0.0053 0.0879 0.0396
Echinococcus granulosus poly (ADP ribose) polymerase 0.0103 0.2434 0.2205
Trypanosoma brucei poly(adp-ribose) polymerase 0.0182 0.4914 1
Leishmania major hypothetical protein, conserved 0.0043 0.0564 1
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0182 0.4914 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0052 0.0821 0.0449
Trypanosoma brucei DNA repair protein, putative 0.0043 0.0564 0.1147
Loa Loa (eye worm) hypothetical protein 0.0053 0.0879 0.1235
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0131 0.3301 0.464
Onchocerca volvulus 0.0053 0.0879 0.1192
Echinococcus granulosus poly adp ribose polymerase 2 0.0182 0.4914 0.4905
Schistosoma mansoni plexin 0.0074 0.1536 0.112

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.942 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) -4.881 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) -4.742 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) -4.321 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) -4.262 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) -4.253 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
GI50 (functional) -4.213 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) -4.163 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) -4.075 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

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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