Detailed information for compound 1606912

Basic information

Technical information
  • TDR Targets ID: 1606912
  • Name: 3-indolizin-2-ylchromen-2-one
  • MW: 261.275 | Formula: C17H11NO2
  • H donors: 0 H acceptors: 1 LogP: 4.12 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1oc2ccccc2cc1c1cc2n(c1)cccc2
  • InChi: 1S/C17H11NO2/c19-17-15(10-12-5-1-2-7-16(12)20-17)13-9-14-6-3-4-8-18(14)11-13/h1-11H
  • InChiKey: XFCXTAUASKZNKO-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(2-indolizinyl)-2-chromenone
  • 3-indolizin-2-ylcoumarin
  • NCI60_037726
  • NSC705894

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 ulcerans fatty acid synthase Fas 0.0328 0.0387 0.0508
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1046 0.4557 0.5856
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0678 0.2421 0.4903
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0262 0.0003 0.5
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0328 0.0387 0.0108
Mycobacterium leprae Polyketide synthase Pks13 0.1563 0.7563 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0876 0.3571 0.7235
Mycobacterium ulcerans thioesterase TesA 0.0871 0.3543 0.4682
Toxoplasma gondii type I fatty acid synthase, putative 0.0744 0.2805 0.5682
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0463 0.117 0.3457
Mycobacterium ulcerans Type I modular polyketide synthase 0.1046 0.4557 0.6023
Mycobacterium ulcerans polyketide synthase Pks9 0.0692 0.2498 0.3299
Mycobacterium ulcerans polyketide synthase 0.1111 0.4934 0.6522
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0871 0.3543 0.4398
Schistosoma mansoni methyltransferase-related 0.0315 0.0309 0.0905
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.1563 0.7563 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.1046 0.4557 0.6023
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0841 0.3369 0.4155
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0262 0.0003 0.5
Mycobacterium ulcerans thioesterase 0.0871 0.3543 0.4682
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0692 0.2498 0.3299
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.1046 0.4557 0.5856
Loa Loa (eye worm) hypothetical protein 0.1757 0.869 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.1563 0.7563 1
Mycobacterium ulcerans polyketide synthase MbtD 0.0322 0.0347 0.0454
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0977 0.4157 0.5305
Trichomonas vaginalis conserved hypothetical protein 0.0315 0.0309 0.5
Leishmania major hypothetical protein, conserved 0.0315 0.0309 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.036 0.0567 0.0356
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.1046 0.4557 0.581
Echinococcus granulosus poly adp ribose polymerase 2 0.0463 0.117 0.3464
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0843 0.3379 1
Trypanosoma brucei poly(adp-ribose) polymerase 0.0463 0.117 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.1111 0.4934 0.6337
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0401 0.0807 0.238
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0855 0.3449 0.4329
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0262 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.0463 0.117 0.1343
Brugia malayi WGR domain containing protein 0.0843 0.3379 0.3377
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.1111 0.4934 0.6376
Loa Loa (eye worm) fatty acid synthase 0.1032 0.4476 0.5149
Mycobacterium ulcerans polyketide synthase Pks13 0.1563 0.7563 1
Mycobacterium ulcerans polyketide synthase 0.1046 0.4557 0.6023
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0262 0.0003 0.001
Loa Loa (eye worm) hypothetical protein 0.0642 0.2209 0.2539
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0977 0.4157 0.4782
Brugia malayi AMP-binding enzyme family protein 0.0322 0.0347 0.0343
Onchocerca volvulus 0.182 0.9058 0.9285
Loa Loa (eye worm) acyl carrier protein 0.0481 0.1273 0.1462
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0463 0.117 1
Giardia lamblia Methyltransferase like 2 0.0315 0.0309 0.5
Mycobacterium leprae Probable polyketide synthase Pks1 0.1111 0.4934 0.6337
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.1046 0.4557 0.4555
Brugia malayi AMP-binding enzyme family protein 0.0977 0.4157 0.4155
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.1111 0.4934 0.6376
Loa Loa (eye worm) hypothetical protein 0.0586 0.1883 0.2164
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0322 0.0347 0.0052
Brugia malayi Methyltransferase-like protein 4 0.0315 0.0309 0.0306
Onchocerca volvulus Fatty acid synthase homolog 0.1885 0.9436 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1046 0.4557 0.6023
Mycobacterium tuberculosis Polyketide synthase Pks12 0.1111 0.4934 0.6376
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0463 0.117 1
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0843 0.3379 0.5
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0262 0.0003 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0595 0.1934 0.224
Mycobacterium ulcerans Type I modular polyketide synthase 0.1046 0.4557 0.6023
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0692 0.2498 0.2941
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0463 0.117 0.3457
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0332 0.0409 0.0467
Mycobacterium tuberculosis Polyketide synthase Pks2 0.1014 0.437 0.5599
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0423 0.0936 0.0864
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.1046 0.4557 0.581
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0843 0.3379 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0529 0.155 0.3136
Echinococcus granulosus poly ADP ribose polymerase 1 0.0843 0.3379 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0841 0.3369 0.4452
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.1014 0.437 0.5599
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1111 0.4934 0.6522
Mycobacterium tuberculosis Probable thioesterase TesA 0.0871 0.3543 0.4459
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.1111 0.4934 0.6337
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1046 0.4557 0.5856
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0751 0.2844 0.3495
Toxoplasma gondii type I fatty acid synthase, putative 0.1111 0.4934 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0841 0.3369 0.4452
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.1111 0.4934 0.6522
Brugia malayi WGR domain containing protein 0.0463 0.117 0.1167

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 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 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 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 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 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 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 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 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 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the K-562 Leukemia 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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