Detailed information for compound 1627784

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.365 | Formula: C20H15N5O2
  • H donors: 0 H acceptors: 3 LogP: 3.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=NN(C(=O)C1/N=N/c1ccc2c(c1)cccc2)C(=O)c1ccncc1
  • InChi: 1S/C20H15N5O2/c1-13-18(20(27)25(24-13)19(26)15-8-10-21-11-9-15)23-22-17-7-6-14-4-2-3-5-16(14)12-17/h2-12,18H,1H3/b23-22+
  • InChiKey: CGZXHGCNAPWCCI-GHVJWSGMSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Furin-like cysteine rich region family protein 0.0153 0.0969 0.0969
Brugia malayi Hexokinase family protein 0.0391 0.2906 0.2906
Entamoeba histolytica hexokinase 1 0.1262 1 0.5
Trypanosoma cruzi hexokinase, putative 0.1262 1 1
Schistosoma mansoni tyrosine kinase 0.0081 0.0387 0.0387
Loa Loa (eye worm) hypothetical protein 0.0035 0.001 0.001
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0153 0.0972 0.5799
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0168 0.1091 0.6522
Giardia lamblia Methyltransferase like 2 0.0048 0.0114 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0013 0.0013
Schistosoma mansoni tyrosine kinase 0.0081 0.0387 0.0387
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0013 0.0013
Echinococcus granulosus single minded 2 0.0054 0.0167 0.0167
Brugia malayi hypoxia-induced factor 1 0.0182 0.1207 0.1207
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0665 0.0665
Echinococcus granulosus hexokinase 0.1262 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0129 0.0777 0.4587
Loa Loa (eye worm) hypothetical protein 0.0101 0.0545 0.0545
Loa Loa (eye worm) hexokinase type II 0.1262 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0074 0.0074
Echinococcus granulosus epidermal growth factor receptor 0.0082 0.0394 0.0394
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0205 0.0205
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0236 0.1646 1
Brugia malayi RNA, U transporter 1 0.0099 0.0533 0.0533
Echinococcus multilocularis hexokinase type 2 0.1262 1 1
Mycobacterium ulcerans thioesterase 0.0131 0.0797 0.4682
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0013 0.0003
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0116 0.067 0.067
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0013 0.0013
Brugia malayi AMP-binding enzyme family protein 0.0147 0.0927 0.0927
Plasmodium vivax hexokinase, putative 0.1262 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0168 0.1091 0.6541
Loa Loa (eye worm) TK/EGFR protein kinase 0.0153 0.0969 0.0969
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0054 0.0168 0.0795
Brugia malayi jmjC domain containing protein 0.0043 0.0074 0.0074
Onchocerca volvulus 0.1262 1 1
Trypanosoma cruzi hexokinase, putative 0.1262 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0218 0.0218
Schistosoma mansoni hypothetical protein 0.0058 0.0201 0.0201
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0116 0.067 0.067
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.004 0.0049 0.0039
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.0756 0.0756
Schistosoma mansoni methyltransferase-related 0.0048 0.0114 0.0114
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0122 0.0122
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0074 0.0074
Brugia malayi hypothetical protein 0.0197 0.1331 0.1331
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0013 0.0003
Schistosoma mansoni hypothetical protein 0.0035 0.0013 0.0013
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.004 0.0049 0.0049
Echinococcus granulosus insulin receptor 0.0049 0.0124 0.0124
Schistosoma mansoni hypothetical protein 0.0372 0.2752 0.2752
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0665 0.0665
Brugia malayi PHD-finger family protein 0.0035 0.0013 0.0013
Echinococcus granulosus hexokinase type 2 0.1262 1 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.001 0.001
Leishmania major hexokinase, putative 0.1262 1 1
Brugia malayi Hexokinase family protein 0.1262 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0108 0.0608 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0168 0.1091 0.6337
Mycobacterium ulcerans thioesterase TesA 0.0131 0.0797 0.4682
Loa Loa (eye worm) hexokinase 0.0792 0.6172 0.6172
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0049 0.0124 0.0124
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.004 0.0049 0.0049
Schistosoma mansoni tyrosine kinase 0.0082 0.0394 0.0394
Loa Loa (eye worm) hypothetical protein 0.0286 0.2051 0.2051
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0168 0.1091 0.6541
Schistosoma mansoni hexokinase 0.1262 1 1
Treponema pallidum hexokinase (hxk) 0.1262 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0053 0.0053
Mycobacterium ulcerans Type I modular polyketide synthase 0.0158 0.1011 0.6023
Brugia malayi Bromodomain containing protein 0.0035 0.0013 0.0013
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0064 0.0246 0.128
Schistosoma mansoni tyrosine kinase 0.0049 0.0124 0.0124
Brugia malayi Cytochrome P450 family protein 0.004 0.0053 0.0053
Echinococcus granulosus hexokinase 0.1262 1 1
Leishmania major hypothetical protein, conserved 0.0048 0.0114 0.0065
Mycobacterium ulcerans Type I modular polyketide synthase 0.0158 0.1011 0.6023
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.1207 0.1207
Loa Loa (eye worm) hypothetical protein 0.0035 0.0013 0.0013
Brugia malayi jmjC domain containing protein 0.0115 0.0665 0.0665
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0158 0.1011 0.6044
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0158 0.1011 0.1011
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0104 0.0576 0.2941
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.004 0.0049 0.0039
Loa Loa (eye worm) TK/INSR protein kinase 0.0049 0.0124 0.0124
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0158 0.1011 0.581
Mycobacterium ulcerans putative regulatory protein 0.0043 0.0081 0.0197
Brugia malayi PAS domain containing protein 0.0059 0.0205 0.0205
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0168 0.1091 0.6337
Loa Loa (eye worm) hypothetical protein 0.0401 0.2993 0.2993
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.004 0.0049 0.0039
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0049 0.0122 0.0505
Brugia malayi Hexokinase family protein 0.0792 0.6172 0.6172
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0131 0.0797 0.4398
Plasmodium falciparum phd finger protein, putative 0.0035 0.0013 0.0003
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0074 0.0074
Toxoplasma gondii hexokinase 0.1262 1 1
Echinococcus multilocularis peregrin 0.0035 0.0013 0.0013
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0074 0.0074
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0104 0.0576 0.3299
Schistosoma mansoni tyrosine kinase 0.0153 0.0969 0.0969
Mycobacterium leprae Polyketide synthase Pks13 0.0236 0.1646 1
Loa Loa (eye worm) hexokinase 0.1262 1 1
Mycobacterium ulcerans polyketide synthase Pks9 0.0104 0.0576 0.3299
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2051 0.2051
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0472 0.0472
Echinococcus multilocularis snurportin 1 0.0372 0.2752 0.2752
Toxoplasma gondii type I fatty acid synthase, putative 0.0112 0.0641 0.0631
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0147 0.0927 0.5519
Onchocerca volvulus 0.0058 0.0201 0.0188
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0113 0.0649 0.3791
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0318 0.0318
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0299 0.2161 0.2161
Loa Loa (eye worm) hexokinase 0.0391 0.2906 0.2906
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.009 0.0457 0.2593
Echinococcus multilocularis 0.0047 0.0111 0.0111
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.004 0.0049 0.5
Schistosoma mansoni importin beta-1 0.0035 0.001 0.001
Mycobacterium tuberculosis Probable thioesterase TesA 0.0131 0.0797 0.4711
Echinococcus multilocularis hexokinase 0.1262 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0201 0.0201
Echinococcus granulosus epidermal growth factor receptor 0.0153 0.0969 0.0969
Brugia malayi Protein kinase domain containing protein 0.0049 0.0124 0.0124
Onchocerca volvulus 0.1262 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0158 0.1011 0.6023
Loa Loa (eye worm) hypothetical protein 0.0088 0.0446 0.0446
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0861 0.6734 0.6734
Schistosoma mansoni tyrosine kinase 0.0081 0.0387 0.0387
Onchocerca volvulus 0.0147 0.0927 0.0915
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2752 0.2752
Echinococcus multilocularis hexokinase 0.1262 1 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1884 0.1884
Plasmodium falciparum hexokinase 0.1262 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0116 0.067 0.067
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0168 0.1091 0.6337
Trypanosoma brucei hexokinase, putative 0.1262 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0127 0.076 0.4452
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0158 0.1011 0.6044
Mycobacterium ulcerans polyketide synthase Pks13 0.0236 0.1646 1
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0081 0.0081
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0081 0.0081
Schistosoma mansoni single-minded 0.0059 0.0205 0.0205
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0153 0.0972 0.5799
Echinococcus granulosus importin subunit beta 1 0.0035 0.001 0.001
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.005 0.013 0.0558
Mycobacterium tuberculosis Hypothetical protein 0.0048 0.0114 0.0455
Onchocerca volvulus 0.0792 0.6172 0.6167
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0102 0.056 0.055
Entamoeba histolytica hexokinase 2 0.1262 1 0.5
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0126 0.0126
Echinococcus granulosus hexokinase 0.1262 1 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0013 0.0013
Brugia malayi hexokinase type II 0.0401 0.2993 0.2993
Mycobacterium tuberculosis Conserved protein 0.0048 0.0114 0.0455
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.0756 0.0756
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.008 0.0376 0.0366
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0168 0.1091 0.6541
Loa Loa (eye worm) hypothetical protein 0.0197 0.1331 0.1331
Mycobacterium ulcerans polyketide synthase MbtD 0.0049 0.0122 0.0454
Onchocerca volvulus Fatty acid synthase homolog 0.0284 0.2042 0.2031
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2051 0.2051
Brugia malayi Methyltransferase-like protein 4 0.0048 0.0114 0.0114
Mycobacterium ulcerans polyketide synthase 0.0168 0.1091 0.6522
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0013 0.0003
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0126 0.0126
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0158 0.1011 0.6044
Mycobacterium ulcerans Type I modular polyketide synthase 0.0158 0.1011 0.6023
Echinococcus multilocularis hexokinase 0.1262 1 1
Echinococcus multilocularis insulin receptor 0.0049 0.0124 0.0124
Echinococcus granulosus peregrin 0.0035 0.0013 0.0013
Schistosoma mansoni tyrosine kinase 0.0049 0.0124 0.0124
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.004 0.0049 0.0049
Onchocerca volvulus 0.1262 1 1
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.004 0.0049 0.5
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.004 0.0049 0.0049
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0158 0.1011 0.581
Loa Loa (eye worm) hypothetical protein 0.0401 0.2993 0.2993
Echinococcus multilocularis epidermal growth factor receptor 0.0082 0.0394 0.0394
Leishmania major hexokinase, putative 0.1262 1 1
Onchocerca volvulus Hexokinase homolog 0.0792 0.6172 0.6167
Onchocerca volvulus 0.0043 0.0081 0.0067
Mycobacterium ulcerans polyketide synthase 0.0158 0.1011 0.6023
Mycobacterium ulcerans fatty acid synthase Fas 0.005 0.013 0.0508
Onchocerca volvulus 0.0275 0.1962 0.1951
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0108 0.0608 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0201 0.0201
Brugia malayi Importin beta-1 subunit 0.0035 0.001 0.001
Loa Loa (eye worm) hexokinase 0.1262 1 1
Loa Loa (eye worm) acyl carrier protein 0.0073 0.0317 0.0317
Brugia malayi hypothetical protein 0.0286 0.2051 0.2051
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0082 0.0394 0.0394
Echinococcus multilocularis epidermal growth factor receptor 0.0153 0.0969 0.0969
Echinococcus granulosus snurportin 1 0.0372 0.2752 0.2752
Loa Loa (eye worm) fatty acid synthase 0.0156 0.0994 0.0994
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0049 0.0124 0.0124
Toxoplasma gondii type I fatty acid synthase, putative 0.0168 0.1091 0.1082
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0116 0.067 0.067
Trypanosoma brucei hexokinase 0.1262 1 1
Schistosoma mansoni tyrosine kinase 0.0082 0.0394 0.0394
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0147 0.0927 0.0927
Trypanosoma brucei hexokinase 0.1262 1 1
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.004 0.0049 0.0039
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0127 0.076 0.4452
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0168 0.1091 0.6522
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0127 0.076 0.4155
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0236 0.1646 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.004 0.0049 0.0049

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.767 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) -5.532 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) -4.716 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) -4.192 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) -4.139 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) -4.134 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) -4.014 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 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 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 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 HOP-92 Non-Small Cell Lung 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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