Detailed information for compound 1603573

Basic information

Technical information
  • TDR Targets ID: 1603573
  • Name: 1,2,5-tri(phenyl)-1$l^{5}-phosphacyclopenta-2 ,4-diene 1-oxide
  • MW: 328.344 | Formula: C22H17OP
  • H donors: 0 H acceptors: 1 LogP: 4.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=P1(c2ccccc2)C(=CC=C1c1ccccc1)c1ccccc1
  • InChi: 1S/C22H17OP/c23-24(20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)16-17-22(24)19-12-6-2-7-13-19/h1-17H
  • InChiKey: RYKNOWKNGHQFBI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCI60_028102
  • 1,2,5-Triphenyl-1H-phosphole 1-oxide
  • AIDS-147958
  • AIDS147958
  • NSC678490

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 Peptide synthetase MbtE (peptide synthase) 0.0088 0.001 0.0017
Leishmania major acetyl-CoA synthetase, putative 0.0088 0.001 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0088 0.001 0.5
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0088 0.001 0.0017
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0088 0.001 0.5
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0088 0.001 0.5
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0088 0.001 0.0017
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0088 0.001 0.5
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0088 0.001 0.0017
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 1.1885 1 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0088 0.001 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0088 0.001 0.0017
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0088 0.001 0.5
Schistosoma mansoni serine/threonine protein kinase 1.1885 1 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0088 0.001 0.5
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.7041 0.5898 1
Loa Loa (eye worm) CAMK/PIM protein kinase 1.1885 1 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0088 0.001 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0088 0.001 0.5
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0088 0.001 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0088 0.001 0.5
Leishmania major acetyl-CoA synthetase, putative 0.0088 0.001 0.5
Trichomonas vaginalis antibiotic synthetase, putative 0.0088 0.001 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0088 0.001 0.5
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0088 0.001 0.0017
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0088 0.001 0.5
Brugia malayi Serine/threonine-protein kinase Pim-3 1.1885 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0088 0.001 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0088 0.001 0.0017
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0088 0.001 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 1.1885 1 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 1.1885 1 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0088 0.001 0.5
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0088 0.001 0.5
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0088 0.001 0.5
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0088 0.001 0.0017
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0088 0.001 0.0017
Toxoplasma gondii propionate-CoA ligase 0.0088 0.001 0.5
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0088 0.001 0.5
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0088 0.001 0.5
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0088 0.001 0.0017
Echinococcus granulosus proto oncogene serine:threonine protein kinase 1.1885 1 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0088 0.001 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0088 0.001 0.5
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0088 0.001 0.0017
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0088 0.001 0.0017
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.7041 0.5898 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0088 0.001 0.5
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0088 0.001 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.642 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) -5.205 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) -4.966 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) -4.918 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) -4.863 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) -4.667 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) -4.553 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) -4.407 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) -4.379 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) -4.229 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

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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