Detailed information for compound 1016996

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.335 | Formula: C17H15N5
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1nc(c2c1ncnc2N)c1ccc2c(c1)cccc2
  • InChi: 1S/C17H15N5/c1-2-22-17-14(16(18)19-10-20-17)15(21-22)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2H2,1H3,(H2,18,19,20)
  • InChiKey: PCPZDHWQPMHSIG-UHFFFAOYSA-N  

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 phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit delta Starlite/ChEMBL References
Homo sapiens protein kinase, DNA-activated, catalytic polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania infantum phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania donovani phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase Get druggable targets OG5_127444 All targets in OG5_127444
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127444 All targets in OG5_127444
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative Get druggable targets OG5_127444 All targets in OG5_127444
Leishmania mexicana phosphatidylinositol 3-kinase, putative Get druggable targets OG5_127444 All targets in OG5_127444
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127444 All targets in OG5_127444
Schistosoma japonicum ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative Get druggable targets OG5_127444 All targets in OG5_127444
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide Get druggable targets OG5_127444 All targets in OG5_127444
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127444 All targets in OG5_127444
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative Get druggable targets OG5_127444 All targets in OG5_127444

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
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0025 0.0193 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Plasmodium falciparum glutathione reductase 0.0037 0.0599 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.2531 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0085 0.2213 0.6399
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0122 0.3459 0.97
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.2482 0.4036
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2482 0.7176
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2482 0.7176
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.2482 0.3565
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.096 0.096
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.3566 0.5799
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.3459 1
Trypanosoma brucei trypanothione reductase 0.0037 0.0599 0.2412
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0812 0.2278
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0025 0.0193 0.0557
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0025 0.0193 0.0193
Loa Loa (eye worm) phosphatidylinositol 3 0.0025 0.0193 0.0313
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0025 0.0193 0.0587
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0122 0.3459 1
Brugia malayi MH2 domain containing protein 0.0126 0.3566 1
Brugia malayi glutathione reductase 0.0037 0.0599 0.1679
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.096 0.096
Schistosoma mansoni hypothetical protein 0.0165 0.4881 0.701
Schistosoma mansoni kinase 0.0047 0.0937 0.1346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Plasmodium vivax glutathione reductase, putative 0.0037 0.0599 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0122 0.3459 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0615 0.0615
Giardia lamblia Kinase, PLK 0.0093 0.2482 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2482 0.7176
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.2531 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0599 0.0974
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2482 0.7176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Loa Loa (eye worm) phosphatidylinositol 3 0.0025 0.0193 0.0313
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0044 0.0812 0.2348
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0025 0.0193 0.0777
Leishmania major phosphatidylinositol 3-kinase, putative 0.0025 0.0193 0.0587
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0025 0.0193 0.0557
Echinococcus multilocularis geminin 0.0165 0.4881 0.4881
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.2482 0.7552
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.2482 0.2482
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.2647 0.7652
Loa Loa (eye worm) phosphatidylinositol 3 0.0036 0.0553 0.09
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.096 0.156
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1206
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0081 0.2058 0.2058
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0044 0.0812 0.1167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0025 0.0193 0.0277
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0227 0.6962 0.6962
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.221 0.8342
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0025 0.0193 0.0587
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.096 0.1378
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0057 0.1245 0.3601
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0599 0.1731
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0036 0.0553 0.1599
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.096 0.096
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.3566 0.5799
Plasmodium falciparum thioredoxin reductase 0.0037 0.0599 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.096 0.1378
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2482 0.7176
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0193 0.0541
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0025 0.0193 0.0587
Loa Loa (eye worm) hypothetical protein 0.0081 0.2058 0.3346
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2482 0.7176
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.096 0.096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0227 0.6962 0.6962
Trypanosoma cruzi target of rapamycin kinase 3 0.0025 0.0193 0.0557
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.221 0.8342
Echinococcus granulosus geminin 0.0165 0.4881 0.4881
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0896 0.259
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0104 0.2844 0.7974
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0025 0.0193 0.0193
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2482 0.7176
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0025 0.0193 0.0587
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0025 0.0193 0.0557
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0081 0.2058 0.2058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Schistosoma mansoni hypothetical protein 0.0165 0.4881 0.701
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Toxoplasma gondii target of rapamycin (TOR), putative 0.0025 0.0193 0.322
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0122 0.3459 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0044 0.0812 0.2348
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0081 0.2058 0.577
Trypanosoma brucei polo-like protein kinase 0.0093 0.2482 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0115 0.32 0.9251
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0025 0.0193 0.0557
Brugia malayi Thioredoxin reductase 0.0037 0.0599 0.1679
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0896 0.259
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0044 0.0812 0.2348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Loa Loa (eye worm) phosphatidylinositol 3 0.0202 0.615 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.2531 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0032 0.0412 0.0957
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2482 0.7176
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0025 0.0193 0.0777
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2482 0.7176
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0615 0.0615
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0025 0.0193 0.0193
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.2531 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0122 0.3459 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0025 0.0193 0.0557
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0044 0.0812 0.2348
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.3028 0.8753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Loa Loa (eye worm) glutathione reductase 0.0037 0.0599 0.0974
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0193 0.0541
Leishmania major trypanothione reductase 0.0037 0.0599 0.1822
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.2482 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0599 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Leishmania major hypothetical protein, conserved 0.0117 0.3287 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.2482 0.2482
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0025 0.0193 0.0193
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0025 0.0193 0.0777
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.2482 0.696
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.2482 0.7176
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0061 0.1401 0.5278
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.221 0.8342
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0085 0.2213 0.6399
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0122 0.3459 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0044 0.0812 0.3272
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0025 0.0193 0.0557
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0025 0.0193 0.0777
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.096 0.1378
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0317 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0025 0.0193 0.0777
Mycobacterium tuberculosis Probable reductase 0.0085 0.221 0.8342
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.221 0.8342
Toxoplasma gondii thioredoxin reductase 0.0037 0.0599 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0193 0.0557
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0044 0.0812 0.2348
Entamoeba histolytica hypothetical protein 0.0098 0.2647 0.7652
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0227 0.6962 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.096 0.2691
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0044 0.0812 0.2348
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.221 0.8342

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of recombinant c-Abl by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant PI3Kgamma by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant VEGFR2 by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant c-Src by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant PI4Kbeta by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant PI3Kbeta by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant EphB4R by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant HCK by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant EGFR by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) Inhibition of recombinant PI3Kalpha by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) = 0.21 uM Inhibition of DNA-PK by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971
IC50 (binding) = 0.75 uM Inhibition of recombinant PI3Kdelta by radioactive phosphotransfer assay in presence of 10 uM ATP ChEMBL. 18849971

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.