Detailed information for compound 1617999

Basic information

Technical information
  • TDR Targets ID: 1617999
  • Name: 5-amino-2-(naphthalen-1-ylamino)-1,3-thiazole -4-carbonitrile
  • MW: 266.321 | Formula: C14H10N4S
  • H donors: 2 H acceptors: 2 LogP: 4.33 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1nc(sc1N)Nc1cccc2c1cccc2
  • InChi: 1S/C14H10N4S/c15-8-12-13(16)19-14(18-12)17-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,16H2,(H,17,18)
  • InChiKey: FBQGUKYMSRIVNJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-amino-2-(1-naphthylamino)thiazole-4-carbonitrile
  • 5-amino-2-(1-naphthylamino)-4-thiazolecarbonitrile
  • NCI60_012713
  • 5-Amino-2-(1-naphthylamino)-1,3-thiazole-4-carbonitrile
  • AIDS-136558
  • AIDS136558
  • NSC638201

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 fructose-bisphosphate aldolase, putative 0.0338 0.9116 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.9116 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0174 0.4244 0.383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.9116 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0174 0.4244 0.4244
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0671 0.0671
Brugia malayi Nuclear hormone receptor E75 0.0174 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Brugia malayi nuclear hormone receptor family member odr-7 0.0174 0.4244 0.4244
Brugia malayi orphan nuclear receptor NR2E1 0.0174 0.4244 0.4244
Brugia malayi hypothetical protein 0.0194 0.486 0.486
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0165 0.3995 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0338 0.9116 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.7951 0.723
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.7951 0.723
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0165 0.3995 0.5
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Loa Loa (eye worm) DR-78 0.0174 0.4244 0.4244
Schistosoma mansoni nuclear hormone receptor 0.0174 0.4244 0.383
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0174 0.4244 0.383
Echinococcus granulosus nuclear receptor nhr 48 0.0174 0.4244 0.383
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.7951 0.723
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0174 0.4244 0.383
Loa Loa (eye worm) hypothetical protein 0.0194 0.486 0.486
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0194 0.486 0.4491
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0194 0.486 0.4491
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0299 0.7951 0.7951
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Treponema pallidum fructose-bisphosphate aldolase 0.0338 0.9116 0.5
Brugia malayi nuclear hormone receptor 0.0174 0.4244 0.4244
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.9116 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Brugia malayi hypothetical protein 0.0174 0.4244 0.4244
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0174 0.4244 0.383
Trichomonas vaginalis glucosylceramidase, putative 0.0207 0.5221 0.0743
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0194 0.486 0.486
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0165 0.3995 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.9116 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0174 0.4244 0.4244
Schistosoma mansoni nuclear receptor 0.0174 0.4244 0.383
Loa Loa (eye worm) hypothetical protein 0.0194 0.486 0.486
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Trichomonas vaginalis glucosylceramidase, putative 0.0207 0.5221 0.0743
Loa Loa (eye worm) hypothetical protein 0.0194 0.486 0.486
Giardia lamblia Fructose-bisphosphate aldolase 0.0338 0.9116 0.5
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0174 0.4244 0.383
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0174 0.4244 0.383
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.7951 0.723
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.9116 1
Schistosoma mansoni nuclear receptor 0.0174 0.4244 0.383
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Onchocerca volvulus Glucosylceramidase homolog 0.0196 0.4908 0.1155
Brugia malayi Nuclear hormone receptor-like 1 0.0194 0.486 0.486
Echinococcus granulosus thyroid hormone receptor alpha 0.0174 0.4244 0.383
Echinococcus granulosus Nuclear hormone receptor HR96 0.0174 0.4244 0.383
Brugia malayi nuclear receptor RXR 0.0194 0.486 0.486
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0174 0.4244 0.383
Brugia malayi ecdysone receptor 0.0174 0.4244 0.4244
Loa Loa (eye worm) nuclear hormone receptor 0.0174 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Schistosoma mansoni zinc finger protein 0.0174 0.4244 0.383
Schistosoma mansoni nuclear hormone receptor 0.0174 0.4244 0.383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.9116 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0671 0.0671
Brugia malayi Nuclear hormone receptor-like 1 0.0194 0.486 0.486
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0194 0.486 0.4491
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.7951 0.723
Brugia malayi nuclear receptor NHR-67 0.0174 0.4244 0.4244
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0174 0.4244 0.383
Schistosoma mansoni nuclear receptor nhr-48 0.0174 0.4244 0.383
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0174 0.4244 0.383
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0338 0.9116 0.5
Loa Loa (eye worm) nuclear receptor NHR-67 0.0174 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0194 0.486 0.486
Echinococcus granulosus Nuclear hormone receptor HR96 0.0174 0.4244 0.383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0338 0.9116 1
Brugia malayi nuclear receptor RXR 0.0174 0.4244 0.4244
Brugia malayi Nuclear hormone receptor E75 0.0174 0.4244 0.4244
Brugia malayi nuclear receptor NHR-88 0.0174 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0174 0.4244 0.383
Brugia malayi hypothetical protein 0.0174 0.4244 0.4244
Brugia malayi nuclear hormone receptor family member nhr-6 0.0174 0.4244 0.4244
Loa Loa (eye worm) hypothetical protein 0.0194 0.486 0.486
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0299 0.7951 0.7951
Brugia malayi tailless protein 0.0174 0.4244 0.4244
Brugia malayi conserved hypotetical protein 0.0174 0.4244 0.4244
Brugia malayi hypothetical protein 0.0194 0.486 0.486
Loa Loa (eye worm) hypothetical protein 0.0174 0.4244 0.4244
Trichomonas vaginalis glucosylceramidase, putative 0.0299 0.7951 0.723
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0194 0.486 0.4491

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.889 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) -4.855 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) -4.851 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) -4.685 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) -4.675 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) -4.634 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) -4.6 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) -4.581 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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