Detailed information for compound 1608581

Basic information

Technical information
  • TDR Targets ID: 1608581
  • Name: propan-2-yl 2-chloro-5-[(2-methoxybenzoyl)-(p henylmethyl)amino]benzoate
  • MW: 437.915 | Formula: C25H24ClNO4
  • H donors: 0 H acceptors: 2 LogP: 5.69 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)N(c1ccc(c(c1)C(=O)OC(C)C)Cl)Cc1ccccc1
  • InChi: 1S/C25H24ClNO4/c1-17(2)31-25(29)21-15-19(13-14-22(21)26)27(16-18-9-5-4-6-10-18)24(28)20-11-7-8-12-23(20)30-3/h4-15,17H,16H2,1-3H3
  • InChiKey: ZQKUDMQDTFZXKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • isopropyl 2-chloro-5-[(2-methoxybenzoyl)-(phenylmethyl)amino]benzoate
  • 2-chloro-5-[[(2-methoxyphenyl)-oxomethyl]-(phenylmethyl)amino]benzoic acid isopropyl ester
  • 5-[benzyl-(2-methoxybenzoyl)amino]-2-chloro-benzoic acid isopropyl ester
  • propan-2-yl 2-chloro-5-[(2-methoxyphenyl)carbonyl-(phenylmethyl)amino]benzoate
  • NCI60_010089
  • 1-Methylethyl-2-chloro-5-[N-(phenylmethyl)- (2-methoxybenzoyl)-amino]benzoate
  • NSC630922
  • AIDS-030952
  • AIDS030952
  • Isopropyl 5-[benzyl(2-methoxybenzoyl)amino]-2-chlorobenzoate
  • UC 800
  • UC800

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
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0134 0.2618 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0134 0.2618 0.0678
Entamoeba histolytica bromodomain-containing protein 0.0097 0.1513 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0134 0.2618 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0376 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.2618 0.2618
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0134 0.2618 0.1302
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0134 0.2618 0.17
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0376 1 1
Chlamydia trachomatis SWIB complex protein 0.0376 1 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0135 0.2661 0.1353
Trypanosoma brucei hypothetical protein, conserved 0.0134 0.2618 0.5
Echinococcus granulosus CREB binding protein 0.0116 0.2082 0.1306
Schistosoma mansoni brg-1 associated factor 0.0376 1 1
Echinococcus multilocularis Bromodomain containing protein 0.0097 0.1513 0.0457
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0134 0.2618 0.1776
Onchocerca volvulus 0.0134 0.2618 0.1302
Schistosoma mansoni fusion 0.0134 0.2618 0.0678
Brugia malayi SWIB/MDM2 domain containing protein 0.0376 1 1
Brugia malayi Bromodomain containing protein 0.0217 0.5142 0.4588
Schistosoma mansoni hypothetical protein 0.0376 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0134 0.2618 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0134 0.2618 0.5
Onchocerca volvulus 0.0376 1 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0134 0.2618 0.1895
Leishmania major hypothetical protein, conserved 0.0134 0.2618 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0134 0.2618 0.17
Giardia lamblia Kinase, putative 0.0097 0.1513 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0134 0.2618 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0376 1 0.5
Brugia malayi brahma associated protein 60 kDa 0.0376 1 1
Schistosoma mansoni zinc finger protein 0.0134 0.2618 0.0678
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0134 0.2618 0.1776
Loa Loa (eye worm) hypothetical protein 0.0134 0.2618 0.2618
Trypanosoma cruzi WLM domain containing protein, putative 0.0134 0.2618 0.5
Schistosoma mansoni hypothetical protein 0.0376 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0376 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0134 0.2618 0.5
Leishmania major hypothetical protein, conserved 0.0134 0.2618 0.5
Schistosoma mansoni RNA binding protein 0.0134 0.2618 0.0678
Loa Loa (eye worm) hypothetical protein 0.0217 0.5142 0.5142
Trichomonas vaginalis bromodomain-containing protein, putative 0.0217 0.5142 0.4276
Trypanosoma brucei hypothetical protein, conserved 0.0134 0.2618 0.5
Echinococcus multilocularis zinc finger protein Ran binding 0.0134 0.2618 0.17
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0134 0.2618 0.1302
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0134 0.2618 0.5
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0376 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0134 0.2618 0.1776
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0134 0.2618 0.5
Onchocerca volvulus 0.0134 0.2618 0.1302
Toxoplasma gondii ran binding protein 0.0134 0.2618 0.1302
Brugia malayi TAZ zinc finger family protein 0.0116 0.2082 0.1178
Trichomonas vaginalis bromodomain-containing protein, putative 0.0217 0.5142 0.4276
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.2661 0.1353
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0134 0.2618 0.5
Trichomonas vaginalis bromodomain containing protein, putative 0.0135 0.2661 0.1353
Loa Loa (eye worm) bromodomain containing protein 0.0097 0.1513 0.1513
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0376 1 1
Schistosoma mansoni hypothetical protein 0.0376 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.2618 0.2618
Loa Loa (eye worm) hypothetical protein 0.0134 0.2618 0.2618
Trichomonas vaginalis bromodomain-containing protein, putative 0.0135 0.2661 0.1353
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0376 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0135 0.2661 0.1353
Schistosoma mansoni hypothetical protein 0.0134 0.2618 0.0678
Echinococcus multilocularis ring and YY1 binding protein 0.0134 0.2618 0.17
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0376 1 1
Onchocerca volvulus 0.0134 0.2618 0.1302
Entamoeba histolytica bromodomain-containing protein 0.0097 0.1513 0.5
Echinococcus multilocularis bromodomain containing 2 0.0217 0.5142 0.4538
Echinococcus granulosus bromodomain containing 2 0.0217 0.5142 0.4666
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0376 1 1
Echinococcus granulosus ring and YY1 binding protein 0.0134 0.2618 0.1895
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0376 1 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0376 1 1
Plasmodium vivax hypothetical protein, conserved 0.0376 1 0.5
Brugia malayi YY1-associated factor 2 0.0134 0.2618 0.1776
Onchocerca volvulus 0.0134 0.2618 0.1302
Entamoeba histolytica bromodomain-containing protein 0.0097 0.1513 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0119 0.2172 0.0776
Echinococcus granulosus SWI:SNF matrix associated 0.0376 1 1
Leishmania major hypothetical protein, conserved 0.0134 0.2618 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 0.2618 0.2618
Loa Loa (eye worm) CBP-B 0.0085 0.1133 0.1133
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0134 0.2618 0.1776
Echinococcus granulosus Zinc finger RanBP2 type 0.0134 0.2618 0.1895
Trypanosoma cruzi WLM domain containing protein, putative 0.0134 0.2618 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0134 0.2618 0.5
Leishmania major hypothetical protein, conserved 0.0134 0.2618 0.5
Loa Loa (eye worm) brahma associated protein 0.0376 1 1
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0217 0.5142 0.3865
Trichomonas vaginalis conserved hypothetical protein 0.0376 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0376 1 1
Echinococcus granulosus zinc finger protein Ran binding 0.0134 0.2618 0.1895
Leishmania major hypothetical protein, conserved 0.0134 0.2618 0.5
Brugia malayi Bromodomain containing protein 0.0217 0.5142 0.4588

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.176 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) -5.113 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) -5.027 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) -4.93 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) -4.686 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) -4.602 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) -4.559 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) -4.514 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) -4.49 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) -4.418 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

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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