Detailed information for compound 1604519

Basic information

Technical information
  • TDR Targets ID: 1604519
  • Name: 2-[[[(4-cyanophenyl)amino]-(naphthalen-2-ylam ino)methylidene]amino]acetic acid
  • MW: 344.367 | Formula: C20H16N4O2
  • H donors: 3 H acceptors: 3 LogP: 3.33 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)/N=C(\Nc1ccc2c(c1)cccc2)/NCC(=O)O
  • InChi: 1S/C20H16N4O2/c21-12-14-5-8-17(9-6-14)23-20(22-13-19(25)26)24-18-10-7-15-3-1-2-4-16(15)11-18/h1-11H,13H2,(H,25,26)(H2,22,23,24)
  • InChiKey: FRSPBOBJXMHBDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[[(4-cyanophenyl)amino]-(2-naphthylamino)methylene]amino]acetic acid
  • 2-[[[(4-cyanophenyl)amino]-(naphthalen-2-ylamino)methylidene]amino]ethanoic acid
  • NCI60_021342
  • ((((4-Cyanophenyl)imino)(2-naphthylamino)methyl)amino)acetic acid
  • AIDS-142861
  • AIDS142861
  • NSC661214

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.1741 0.7831 0.7813
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0423 0.1403 0.1332
Onchocerca volvulus 0.0469 0.1631 0.883
Trichomonas vaginalis PIKK family atypical protein kinase 0.0271 0.0664 0.0587
Loa Loa (eye worm) hypothetical protein 0.0512 0.1836 0.1836
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.2186 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0388 0.1235 0.1162
Trichomonas vaginalis PIKK family atypical protein kinase 0.1629 0.7283 0.7261
Leishmania major phosphatidylinositol 3-kinase, putative 0.019 0.027 0.0189
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.5123 0.5082
Schistosoma mansoni fkbp-rapamycin associated protein 0.0423 0.1403 0.1332
Trichomonas vaginalis conserved hypothetical protein 0.047 0.1632 0.1563
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0423 0.1403 0.1332
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0388 0.1235 0.1162
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.5114 0.5074
Trichomonas vaginalis PIKK family atypical protein kinase 0.1298 0.567 0.5634
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0268 0.0651 0.0573
Trypanosoma cruzi target of rapamycin kinase 3 0.1743 0.7839 0.7822
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0403 0.1308 0.1236
Trichomonas vaginalis PIKK family atypical protein kinase 0.0423 0.1403 0.1332
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.019 0.027 0.0189
Trichomonas vaginalis PIKK family atypical protein kinase 0.1311 0.5733 0.5698
Echinococcus multilocularis serine protein kinase ATM 0.0423 0.1403 0.1332
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.019 0.027 0.0189
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.2186 1 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0741 0.2954 0.2895
Mycobacterium leprae conserved hypothetical protein 0.0152 0.0082 0.5
Schistosoma mansoni hypothetical protein 0.0318 0.0893 0.0818
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0337 0.0985 0.0911
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.2186 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0271 0.0664 0.0587
Onchocerca volvulus 0.0512 0.1836 1
Loa Loa (eye worm) hypothetical protein 0.0271 0.0664 0.0664
Loa Loa (eye worm) phosphatidylinositol 3 0.0741 0.2954 0.2954
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0741 0.2954 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.1311 0.5733 0.5698
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.086 0.3534 0.3481
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0512 0.1836 0.1769
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0741 0.2954 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.1741 0.7831 0.7813
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0523 0.1892 0.1825
Schistosoma mansoni phosphatidylinositol 4-kinase 0.019 0.027 0.0189
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.2954 0.2895
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.2186 1 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.086 0.3534 0.3481
Trichomonas vaginalis PIKK family atypical protein kinase 0.0423 0.1403 0.1332
Loa Loa (eye worm) phosphatidylinositol 3 0.0782 0.3153 0.3153
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0318 0.0893 0.0818
Echinococcus multilocularis Zinc finger, PHD finger 0.019 0.027 0.0189
Trichomonas vaginalis PIKK family atypical protein kinase 0.1298 0.567 0.5634
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.019 0.027 0.0189
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0741 0.2954 0.2895
Loa Loa (eye worm) hypothetical protein 0.0388 0.1235 0.1235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.2954 0.2895
Echinococcus granulosus serine protein kinase ATM 0.0423 0.1403 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.1423 0.6281 0.625
Trichomonas vaginalis PIKK family atypical protein kinase 0.0595 0.2243 0.2178
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0423 0.1403 0.1332
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.019 0.027 0.0189
Loa Loa (eye worm) hypothetical protein 0.0152 0.0082 0.0082
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0523 0.1892 0.1825
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.2186 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.031 0.0854 0.0778
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.2954 0.2895
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0268 0.0651 0.0573
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.2186 1 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.019 0.027 0.0189
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.019 0.027 0.0189
Trichomonas vaginalis PIKK family atypical protein kinase 0.1868 0.845 0.8437
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0268 0.0651 0.0573
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0741 0.2954 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.2186 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0268 0.0651 0.0573
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0325 0.0927 0.0852
Loa Loa (eye worm) phosphatidylinositol 3 0.0152 0.0082 0.0082
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0388 0.1235 0.1162
Trichomonas vaginalis PIKK family atypical protein kinase 0.1741 0.7831 0.7813
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.019 0.027 0.027
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.104 0.4412 0.4366
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.019 0.027 0.0189
Trichomonas vaginalis conserved hypothetical protein 0.0271 0.0664 0.0587
Loa Loa (eye worm) phosphatidylinositol 3 0.0152 0.0082 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.2186 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.019 0.027 0.0189
Trichomonas vaginalis PIKK family atypical protein kinase 0.1629 0.7283 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.5123 0.5082
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0423 0.1403 0.1332
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0523 0.1892 0.1825
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0523 0.1892 0.1825
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.019 0.027 0.0189
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0268 0.0651 0.0573
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.019 0.027 0.0261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.5123 0.5082
Trichomonas vaginalis PIKK family atypical protein kinase 0.1741 0.7831 0.7813
Loa Loa (eye worm) hypothetical protein 0.0443 0.1504 0.1504
Brugia malayi Trypsin family protein 0.0512 0.1836 0.1769
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0741 0.2954 0.2895
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0423 0.1403 0.1332
Brugia malayi FAT domain containing protein 0.0318 0.0893 0.0818
Loa Loa (eye worm) hypothetical protein 0.0318 0.0893 0.0893
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0523 0.1892 0.1825
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.023 0.0463 0.0384
Toxoplasma gondii FATC domain-containing protein 0.0423 0.1403 0.1835
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0445 0.1511 0.1441
Trichomonas vaginalis PIKK family atypical protein kinase 0.1629 0.7283 0.7261
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.019 0.027 0.0189
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0741 0.2954 0.2895
Toxoplasma gondii non-specific serine/threonine protein kinase 0.047 0.1632 0.2153
Loa Loa (eye worm) hypothetical protein 0.0512 0.1836 0.1836
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0741 0.2954 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.1741 0.7831 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.5123 0.5082
Entamoeba histolytica hypothetical protein 0.0423 0.1403 0.1332
Loa Loa (eye worm) phosphatidylinositol kinase 0.0152 0.0082 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.5114 0.5074
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.2186 1 1
Loa Loa (eye worm) hypothetical protein 0.0423 0.1403 0.1403
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.019 0.027 0.0189
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0541 0.198 0.1913
Leishmania major phosphatidylinositol 3-kinase, putative 0.0741 0.2954 0.2895
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0915 0.3802 0.375
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0371 0.1153 0.1079
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.019 0.027 0.0261
Giardia lamblia GTOR 0.2186 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0268 0.0651 0.0573
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.019 0.027 0.0189
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0268 0.0651 0.0573
Loa Loa (eye worm) phosphatidylinositol 3 0.0152 0.0082 0.0082
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.2186 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.2954 0.2895
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0423 0.1403 0.1332
Loa Loa (eye worm) phosphatidylinositol 3 0.0152 0.0082 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.1629 0.7283 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1184 0.5114 0.5074
Trichomonas vaginalis PIKK family atypical protein kinase 0.1311 0.5733 0.5698
Toxoplasma gondii target of rapamycin (TOR), putative 0.1629 0.7283 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0152 0.0082 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.086 0.3534 0.3481
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0268 0.0651 0.0573
Entamoeba histolytica hypothetical protein 0.0445 0.1511 0.1441
Trichomonas vaginalis PIKK family atypical protein kinase 0.1629 0.7283 0.7261
Plasmodium falciparum phosphatidylinositol 3-kinase 0.019 0.027 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.2186 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0268 0.0651 0.0573
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.019 0.027 0.0189
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.019 0.027 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0403 0.1308 0.1236
Entamoeba histolytica protein kinase rad3, putative 0.0423 0.1403 0.1332
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0523 0.1892 0.1825
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0423 0.1403 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.2954 0.2895
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1743 0.7839 0.7822
Trichomonas vaginalis PIKK family atypical protein kinase 0.2186 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0523 0.1892 0.1825
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0423 0.1403 0.1332
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0423 0.1403 0.1332
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.2186 1 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0741 0.2954 0.2895
Loa Loa (eye worm) phosphatidylinositol 3 0.2186 1 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.2186 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.0893 0.0818
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0318 0.0893 0.0818
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.019 0.027 0.0189
Trichomonas vaginalis PIKK family atypical protein kinase 0.1629 0.7283 0.7261
Loa Loa (eye worm) hypothetical protein 0.047 0.1632 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.147 0.651 0.6481
Trichomonas vaginalis PIKK family atypical protein kinase 0.1629 0.7283 0.7261
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1743 0.7839 0.7822
Trichomonas vaginalis PIKK family atypical protein kinase 0.0423 0.1403 0.1332

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5 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) -5 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) -5 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) -5 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 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) -5 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) -5 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

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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