Detailed information for compound 23446

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 489.543 | Formula: C30H24FN5O
  • H donors: 0 H acceptors: 3 LogP: 4.32 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1C1=N[C@H](C)c2n(c3c1cc(C#CCN1C(=O)CCc4c1cccc4)cc3)c(nn2)C
  • InChi: 1S/C30H24FN5O/c1-19-30-34-33-20(2)36(30)27-15-13-21(18-24(27)29(32-19)23-10-4-5-11-25(23)31)8-7-17-35-26-12-6-3-9-22(26)14-16-28(35)37/h3-6,9-13,15,18-19H,14,16-17H2,1-2H3/t19-/m1/s1
  • InChiKey: VTXDWOOLDDTASH-LJQANCHMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens platelet-activating factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus g-protein coupled receptor platelet-activating factor receptor 342 aa 302 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.0643 0.6542
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.0643 0.0643
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0069 0.0041 0.0041
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0267 0.1078 0.1739
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0069 0.0041 0.0041
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0028 0.0028
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.075 0.3611 0.3593
Loa Loa (eye worm) protein-tyrosine phosphatase 0.036 0.1564 0.1599
Trypanosoma brucei acetyl-CoA carboxylase 0.1969 1 1
Leishmania major carbamoyl-phosphate synthase, putative 0.0169 0.0568 0.0568
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0267 0.1078 0.2905
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0069 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.011 0.0259 0.0259
Schistosoma mansoni kinase 0.0093 0.0169 0.0169
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0336 0.144 1
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0069 0.0041 0.0114
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.075 0.3611 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0069 0.0041 0.0041
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0069 0.0041 0.0114
Entamoeba histolytica hypothetical protein 0.0078 0.0086 0.0415
Loa Loa (eye worm) hypothetical protein 0.0162 0.0527 0.0519
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0267 0.1078 0.2905
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.0259 0.024
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0069 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0069 0.0041 0.0014
Trypanosoma cruzi acetyl-CoA carboxylase 0.1219 0.6069 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0184 0.0643 0.1018
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.075 0.3611 1
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0069 0.0041 0.0013
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0267 0.1078 0.1078
Trypanosoma brucei unspecified product 0.0493 0.2264 0.2242
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.0643 0.6542
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0267 0.1078 0.2986
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0169 0.0568 0.0542
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.075 0.3611 0.3611
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0169 0.0568 0.0568
Echinococcus granulosus Biotin lipoyl attachment 0.0069 0.0041 0.0041
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0267 0.1078 0.1078
Onchocerca volvulus 0.0233 0.09 1
Schistosoma mansoni hypothetical protein 0.0184 0.0642 0.0642
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0267 0.1078 0.1078
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0069 0.0041 0.0013
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0267 0.1078 0.2986
Brugia malayi hypothetical protein 0.0078 0.0086 0.0061
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0069 0.0041 0.0013
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0069 0.0041 0.0013
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0069 0.0041 0.0041
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0267 0.1078 0.2905
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.036 0.1564 0.1564
Trypanosoma cruzi polo-like protein kinase, putative 0.0184 0.0643 0.1018
Leishmania major carboxylase, putative 0.075 0.3611 0.3611
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0069 0.0041 0.0014
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0069 0.0041 0.0041
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0169 0.0568 0.1574
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.075 0.3611 1
Mycobacterium ulcerans pyruvate carboxylase 0.075 0.3611 1
Schistosoma mansoni acetyl-CoA carboxylase 0.1969 1 1
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0069 0.0041 0.0022
Toxoplasma gondii carbamoylphosphate synthetase 0.0169 0.0568 0.0568
Schistosoma mansoni hypothetical protein 0.0078 0.0086 0.0086
Trichomonas vaginalis set domain proteins, putative 0.0233 0.09 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.075 0.3611 1
Entamoeba histolytica hypothetical protein 0.0078 0.0086 0.0415
Brugia malayi Protein-tyrosine phosphatase containing protein 0.036 0.1564 0.1599
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.19 0.9639 1
Echinococcus multilocularis Biotin lipoyl attachment 0.0069 0.0041 0.0041
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0069 0.0041 0.0041
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1425 0.7148 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0184 0.0643 0.0643
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0267 0.1078 0.1078
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0267 0.1078 0.2986
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.0643 0.6542
Chlamydia trachomatis biotin carboxylase 0.0681 0.3249 1
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0069 0.0041 0.0022
Echinococcus multilocularis geminin 0.0184 0.0642 0.0642
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0267 0.1078 0.1078
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0069 0.0041 0.0022
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0169 0.0568 0.0568
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0069 0.0041 0.0014
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0069 0.0041 0.0022
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.0752 0.0753
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0028 0.0028
Brugia malayi serine/threonine-protein kinase plk-2 0.0184 0.0643 0.064
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0267 0.1078 0.1053
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0028 0.0028
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.0643 0.6542
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0267 0.1078 0.2986
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0069 0.0041 0.0114
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0267 0.1078 0.2905
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0169 0.0568 0.1476
Schistosoma mansoni hypothetical protein 0.0184 0.0642 0.0642
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.0643 0.6542
Brugia malayi Carboxyl transferase domain containing protein 0.19 0.9639 1
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0069 0.0041 0.0041
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0267 0.1078 0.2986
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.075 0.3611 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1425 0.7148 1
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0069 0.0041 0.0041
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1969 1 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1969 1 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.075 0.3611 0.5931
Trypanosoma brucei polo-like protein kinase 0.0184 0.0643 0.0617
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.075 0.3611 1
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0267 0.1078 0.2986
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0184 0.0643 0.0643
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0267 0.1078 0.1739
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0086 0.0086
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0069 0.0041 0.0041
Mycobacterium ulcerans hypothetical protein 0.0069 0.0041 0.0114
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.075 0.3611 0.3593
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0086 0.0086
Brugia malayi Calcitonin receptor-like protein seb-1 0.0162 0.0527 0.0519
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0069 0.0041 0.0014
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1969 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0041 0.0014
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.075 0.3611 0.3611
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0336 0.144 1
Entamoeba histolytica hypothetical protein 0.0078 0.0086 0.0415
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0267 0.1078 0.1078
Entamoeba histolytica serine/threonine protein kinase, putative 0.0184 0.0643 0.4357
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.075 0.3611 0.5931
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0267 0.1078 0.1739
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0069 0.0041 0.0041
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0069 0.0041 0.0022
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0162 0.0527 0.0519
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0069 0.0041 0.0114
Toxoplasma gondii pyruvate carboxylase 0.075 0.3611 0.3611
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0169 0.0568 0.0894
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0267 0.1078 0.2986
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0069 0.0041 0.0041
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0069 0.0041 0.0114
Plasmodium falciparum carbamoyl phosphate synthetase 0.0169 0.0568 0.0742
Schistosoma mansoni aspartate carbamoyltransferase 0.0169 0.0568 0.0568
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.075 0.3611 0.3611
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.036 0.1564 0.1564
Leishmania major acetyl-CoA carboxylase, putative 0.1969 1 1
Schistosoma mansoni pyruvate carboxylase 0.075 0.3611 0.3611
Loa Loa (eye worm) hypothetical protein 0.0069 0.0041 0.0014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0162 0.0527 0.0519
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.011 0.0259 0.024
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.075 0.3611 0.3611
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0267 0.1078 0.2986
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0069 0.0041 0.0022
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0069 0.0041 0.0041
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.075 0.3611 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0184 0.0643 0.0643
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0267 0.1078 0.3233
Echinococcus granulosus geminin 0.0184 0.0642 0.0642
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0169 0.0568 0.0742
Brugia malayi Pre-SET motif family protein 0.0205 0.0752 0.0753
Treponema pallidum pyruvate carboxylase subunit B 0.0069 0.0041 0.5
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0069 0.0041 0.0022
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.0643 0.6542
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.036 0.1564 0.1564
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.0643 0.6542
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0069 0.0041 0.0041
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0069 0.0041 0.0041
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0184 0.0643 0.064
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0169 0.0568 0.0894
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.0086 0.0086
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0069 0.0041 0.0041
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.075 0.3611 0.3611
Entamoeba histolytica hypothetical protein 0.0078 0.0086 0.0415

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1000 nM PAF-antagonist activity determined in dog platelets by PAF-binding assay ChEMBL. 2002463
IC50 (binding) = 1000 nM PAF-antagonist activity determined in dog platelets by PAF-binding assay ChEMBL. 2002463
Inhibition (functional) = 49 % Inhibition of PAF-induced bronchoconstriction in the guinea pig, (1 mg/kg) intravenously at one-minute pretreatment time ChEMBL. 2002463
Inhibition (functional) = 49 % Inhibition of PAF-induced bronchoconstriction in the guinea pig, (1 mg/kg) intravenously at one-minute pretreatment time ChEMBL. 2002463

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

1 literature reference was collected for this gene.

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