Detailed information for compound 1632500

Basic information

Technical information
  • TDR Targets ID: 1632500
  • Name: 1-(2-chloroethyl)-3-pyridin-3-ylurea
  • MW: 199.637 | Formula: C8H10ClN3O
  • H donors: 2 H acceptors: 2 LogP: 0.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCNC(=O)Nc1cccnc1
  • InChi: 1S/C8H10ClN3O/c9-3-5-11-8(13)12-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H2,11,12,13)
  • InChiKey: GHKZUTAGOUFZGD-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(2-chloroethyl)-3-(3-pyridyl)urea
  • 1-(2-chloroethyl)-3-pyridin-3-yl-urea
  • 13908-58-2
  • NCI60_041822
  • FA-0861
  • NSC83110
  • NCIOpen2_001084

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
Loa Loa (eye worm) hypothetical protein 0.0096 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0131 0.0262 0.0262
Echinococcus granulosus MAM 0.0316 0.0971 0.1753
Loa Loa (eye worm) hypothetical protein 0.1474 0.5388 0.5389
Brugia malayi Immunoglobulin I-set domain containing protein 0.0135 0.028 0.028
Loa Loa (eye worm) hypothetical protein 0.0316 0.0971 0.0971
Brugia malayi Fibronectin type III domain containing protein 0.0131 0.0262 0.0262
Echinococcus granulosus twitchin 0.0096 0.0129 0.0233
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0074 0.0047 0.0086
Loa Loa (eye worm) hypothetical protein 0.0096 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0131 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0096 0.0129 0.0129
Onchocerca volvulus 0.0351 0.1104 1
Echinococcus multilocularis roundabout 2 0.0131 0.0262 0.0474
Loa Loa (eye worm) hypothetical protein 0.0096 0.0129 0.0129
Schistosoma mansoni cell adhesion molecule 0.0131 0.0262 0.0951
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0096 0.0129 0.0233
Echinococcus multilocularis MAM 0.0316 0.0971 0.1753
Echinococcus granulosus neuroglian 0.0096 0.0129 0.0233
Loa Loa (eye worm) hypothetical protein 0.0316 0.0971 0.0971
Schistosoma mansoni vesicular amine transporter 0.0096 0.0129 0.0468
Echinococcus granulosus roundabout 2 0.0131 0.0262 0.0474
Echinococcus multilocularis microtubule associated protein 2 0.0785 0.2759 0.4981
Loa Loa (eye worm) hypothetical protein 0.0072 0.0039 0.0039
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.0166 0.0166
Brugia malayi hypothetical protein 0.0316 0.0971 0.0971
Echinococcus multilocularis Immunoglobulin 0.0096 0.0129 0.0233
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.0282 0.0282
Echinococcus granulosus microtubule associated protein 2 0.0785 0.2759 0.4981
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0096 0.0129 0.0468
Loa Loa (eye worm) TK protein kinase 0.1513 0.5538 0.554
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.0166 0.0166
Echinococcus multilocularis Immunoglobulin 0.0096 0.0129 0.0233
Echinococcus multilocularis neuroglian 0.0096 0.0129 0.0233
Brugia malayi MH2 domain containing protein 0.0136 0.0282 0.0282
Loa Loa (eye worm) hypothetical protein 0.0131 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0096 0.0129 0.0129
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.0282 0.0282
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0135 0.028 0.028
Echinococcus granulosus Immunoglobulin 0.0096 0.0129 0.0233
Brugia malayi hypothetical protein 0.0131 0.0262 0.0262
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.0166 0.0166
Echinococcus granulosus tyrosine protein kinase 0.1513 0.5538 1
Loa Loa (eye worm) TK/ALK protein kinase 0.2681 0.9997 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0166 0.0166
Schistosoma mansoni nephrin 0.0131 0.0262 0.0951
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0074 0.0047 0.0086
Schistosoma mansoni ephrin receptor 0.0074 0.0047 0.0172
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0039 0.0039
Brugia malayi Protein kinase domain containing protein 0.1513 0.5538 0.5538
Echinococcus multilocularis tyrosine protein kinase 0.1513 0.5538 1
Loa Loa (eye worm) hypothetical protein 0.2325 0.8638 0.8641
Loa Loa (eye worm) hypothetical protein 0.0096 0.0129 0.0129
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0794 0.2793 0.5044
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0096 0.0129 0.0468
Brugia malayi Immunoglobulin I-set domain containing protein 0.0131 0.0262 0.0262
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0096 0.0129 0.0233
Schistosoma mansoni hypothetical protein 0.0072 0.0039 0.014
Schistosoma mansoni hypothetical protein 0.0316 0.0971 0.352
Schistosoma mansoni hypothetical protein 0.0316 0.0971 0.352
Schistosoma mansoni microtubule-associated protein tau 0.0785 0.2759 1
Loa Loa (eye worm) hypothetical protein 0.0316 0.0971 0.0971
Echinococcus granulosus defective proboscis extension response 0.0096 0.0129 0.0233

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.582 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) -5.285 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) -4.893 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) -4.868 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) -4.813 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) -4.756 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) -4.701 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) -4.668 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) -4.652 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) -4.504 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) -4.307 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

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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