Detailed information for compound 1648262

Basic information

Technical information
  • TDR Targets ID: 1648262
  • Name: 2-(2-chlorophenyl)-4-phenyl-2,3-benzodiazocin -1-one
  • MW: 358.82 | Formula: C22H15ClN2O
  • H donors: 0 H acceptors: 1 LogP: 5.54 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1N1N=C(C=Cc2c(C1=O)cccc2)c1ccccc1
  • InChi: 1S/C22H15ClN2O/c23-19-12-6-7-13-21(19)25-22(26)18-11-5-4-8-16(18)14-15-20(24-25)17-9-2-1-3-10-17/h1-15H/b15-14-,24-20+
  • InChiKey: ZAROSUOTGVTDJF-DDDDRTNFSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (3E,5Z)-2-(2-chlorophenyl)-4-phenyl-2,3-benzodiazocin-1-one
  • 2-(2-Chlorophenyl)-4-phenyl-2,3-benzodiazocin-1(2H)-one
  • AIDS-147148
  • AIDS147148
  • NSC676437
  • NCI60_027044

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
Mycobacterium tuberculosis Conserved protein 0.0097 0.1235 0.5
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0097 0.1235 0.1235
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0097 0.1235 0.1235
Brugia malayi RNA, U transporter 1 0.0095 0.1214 0.1214
Loa Loa (eye worm) hypothetical protein 0.0097 0.1235 0.1235
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0152 0.1232
Loa Loa (eye worm) leucyl aminopeptidase 0.0097 0.1235 0.1235
Brugia malayi leucyl aminopeptidase 0.0097 0.1235 0.1235
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0097 0.1235 0.1235
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0607 1 1
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0607 1 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.0097 0.1235 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0097 0.1235 0.1235
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0043 0.035
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0043 0.035
Trypanosoma brucei glutaminyl cyclase, putative 0.0097 0.1235 1
Toxoplasma gondii peptidase, M28 family protein 0.0097 0.1235 1
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0097 0.1235 0.1235
Brugia malayi Importin beta-1 subunit 0.0034 0.0152 0.0152
Loa Loa (eye worm) follicle stimulating hormone receptor 0.027 0.4204 0.4204
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0607 1 1
Toxoplasma gondii hypothetical protein 0.0097 0.1235 1
Plasmodium falciparum importin beta, putative 0.0034 0.0152 1
Leishmania major glutaminyl cyclase, putative 0.0097 0.1235 1
Leishmania major hypothetical protein, conserved 0.0097 0.1235 1
Entamoeba histolytica hypothetical protein 0.0027 0.0043 1
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.1235 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.1235 1
Schistosoma mansoni hypothetical protein 0.0358 0.5727 0.5727
Loa Loa (eye worm) hypothetical protein 0.0034 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0097 0.1235 0.1235
Onchocerca volvulus Glutaminyl cyclase homolog 0.0607 1 1
Echinococcus multilocularis snurportin 1 0.0358 0.5727 0.5727
Loa Loa (eye worm) hypothetical protein 0.0607 1 1
Echinococcus granulosus snurportin 1 0.0358 0.5727 0.5727
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0043 0.035
Trypanosoma cruzi glutaminyl cyclase, putative 0.0097 0.1235 1
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0152 0.1232
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0043 0.035
Echinococcus granulosus importin subunit beta 1 0.0034 0.0152 0.0152
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0097 0.1235 0.5
Brugia malayi nicalin 0.0097 0.1235 0.1235
Plasmodium vivax importin-beta 2, putative 0.0034 0.0152 1
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0097 0.1235 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0097 0.1235 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0358 0.5727 0.5727
Mycobacterium ulcerans hypothetical protein 0.0097 0.1235 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0152 0.1232
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0097 0.1235 0.1235
Brugia malayi FXNA 0.0097 0.1235 0.1235
Leishmania major importin beta-1 subunit, putative 0.0027 0.0043 0.035
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0097 0.1235 0.1235
Schistosoma mansoni nicalin (M28 family) 0.0097 0.1235 0.1235
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0097 0.1235 0.1235
Brugia malayi follicle stimulating hormone receptor 0.027 0.4204 0.4204
Schistosoma mansoni importin beta-1 0.0034 0.0152 0.0152
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0097 0.1235 1
Schistosoma mansoni Fxna peptidase (M28 family) 0.0097 0.1235 0.1235
Loa Loa (eye worm) hypothetical protein 0.0097 0.1235 0.1235

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.464 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) -4.895 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) -4.873 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) -4.638 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) -4.632 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) -4.578 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) -4.576 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) -4.54 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) -4.488 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) -4.447 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) -4.309 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.