Detailed information for compound 1632489

Basic information

Technical information
  • TDR Targets ID: 1632489
  • Name: N-[(Z)-3-[2-(7-chloroquinolin-4-yl)-2-methylh ydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop- 1-en-2-yl]benzamide
  • MW: 516.976 | Formula: C28H25ClN4O4
  • H donors: 2 H acceptors: 3 LogP: 5.52 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1OC)/C=C(/C(=O)NN(c1ccnc2c1ccc(c2)Cl)C)\NC(=O)c1ccccc1
  • InChi: 1S/C28H25ClN4O4/c1-33(24-13-14-30-22-17-20(29)10-11-21(22)24)32-28(35)23(31-27(34)19-7-5-4-6-8-19)15-18-9-12-25(36-2)26(16-18)37-3/h4-17H,1-3H3,(H,31,34)(H,32,35)/b23-15-
  • InChiKey: IVEJNJGPDVKCDI-HAHDFKILSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[2-(7-chloroquinolin-4-yl)-2-methylhydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
  • N-[(Z)-1-[[(7-chloro-4-quinolyl)-methyl-amino]carbamoyl]-2-(3,4-dimethoxyphenyl)vinyl]benzamide
  • N-[1-[[(7-chloro-4-quinolyl)-methyl-amino]carbamoyl]-2-(3,4-dimethoxyphenyl)vinyl]benzamide
  • N-[1-[[N'-(7-chloro-4-quinolyl)-N'-methylhydrazino]-oxomethyl]-2-(3,4-dimethoxyphenyl)vinyl]benzamide
  • N-[(Z)-1-[[N'-(7-chloro-4-quinolyl)-N'-methylhydrazino]-oxomethyl]-2-(3,4-dimethoxyphenyl)vinyl]benzamide
  • N-[3-[2-(7-chloroquinolin-4-yl)-2-methyl-hydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxo-prop-1-en-2-yl]benzamide
  • N-[(Z)-3-[2-(7-chloroquinolin-4-yl)-2-methyl-hydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxo-prop-1-en-2-yl]benzamide
  • N-[(Z)-1-{[2-(7-Chloroquinolin-4-yl)-2-methylhydrazino]carbonyl}-2-(3,4-dimethoxyphenyl)vinyl]benzamide
  • NSC659397
  • NCI60_020978
  • AIDS-016055
  • AIDS016055

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0017 0.0053
Loa Loa (eye worm) TK/ALK protein kinase 0.1931 0.9997 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.0628 0.0628
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0079 0.0194 0.0306
Schistosoma mansoni vesicular amine transporter 0.0079 0.0194 0.0598
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0654 0.3236 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0017 0.0027
Schistosoma mansoni nephrin 0.0103 0.0322 0.0996
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.0352 0.0352
Loa Loa (eye worm) hypothetical protein 0.0228 0.0983 0.0983
Mycobacterium ulcerans hypothetical protein 0.0042 0 0.5
Echinococcus granulosus Immunoglobulin 0.0079 0.0194 0.0306
Brugia malayi hypothetical protein 0.0228 0.0983 0.0983
Loa Loa (eye worm) hypoxia-induced factor 1 0.0148 0.0562 0.0563
Schistosoma mansoni single-minded 0.0048 0.0031 0.0096
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0654 0.3236 1
Echinococcus granulosus twitchin 0.0079 0.0194 0.0306
Schistosoma mansoni ephrin receptor 0.0054 0.0065 0.02
Echinococcus granulosus neuroglian 0.0079 0.0194 0.0306
Loa Loa (eye worm) hypothetical protein 0.0228 0.0983 0.0983
Mycobacterium ulcerans beta-lactamase 0.0042 0 0.5
Giardia lamblia UDP-glucose 4-epimerase 0.068 0.3377 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0103 0.0322 0.0322
Schistosoma mansoni hypothetical protein 0.0228 0.0983 0.3037
Mycobacterium leprae Probable lipase LipE 0.0042 0 0.5
Trypanosoma brucei UDP-galactose 4-epimerase 0.068 0.3377 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0322 0.0322
Echinococcus granulosus tyrosine protein kinase 0.1239 0.6332 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0079 0.0194 0.0194
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0054 0.0065 0.0102
Plasmodium vivax hypothetical protein, conserved 0.0042 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0017 0.0053
Brugia malayi PAS domain containing protein 0.0048 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0103 0.0322 0.0322
Echinococcus granulosus defective proboscis extension response 0.0079 0.0194 0.0306
Echinococcus granulosus MAM 0.0228 0.0983 0.1552
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0054 0.0065 0.0102
Mycobacterium leprae conserved hypothetical protein 0.0042 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0194 0.0194
Brugia malayi hypoxia-induced factor 1 0.0148 0.0562 0.0562
Echinococcus multilocularis Immunoglobulin 0.0079 0.0194 0.0306
Brugia malayi Cytochrome P450 family protein 0.0049 0.0037 0.0037
Echinococcus multilocularis neuroglian 0.0079 0.0194 0.0306
Leishmania major udp-glc 4-epimerase, putative 0.068 0.3377 1
Echinococcus multilocularis tyrosine protein kinase 0.1239 0.6332 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0079 0.0194 0.0598
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0109 0.0352 0.0352
Schistosoma mansoni UDP-glucose 4-epimerase 0.0654 0.3236 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0017 0.0053
Echinococcus granulosus UDP glucose 4 epimerase 0.0654 0.3236 0.511
Brugia malayi UDP galactose 4'-epimerase 0.0654 0.3236 0.3236
Loa Loa (eye worm) hypothetical protein 0.0079 0.0194 0.0194
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0017 0.0027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0017 0.0027
Loa Loa (eye worm) hypothetical protein 0.0079 0.0194 0.0194
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0079 0.0194 0.0598
Schistosoma mansoni hypothetical protein 0.0228 0.0983 0.3037
Schistosoma mansoni cell adhesion molecule 0.0103 0.0322 0.0996
Loa Loa (eye worm) TK protein kinase 0.1239 0.6332 0.6334
Brugia malayi hypothetical protein 0.0161 0.0628 0.0628
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0654 0.3236 1
Loa Loa (eye worm) hypothetical protein 0.0228 0.0983 0.0983
Echinococcus multilocularis roundabout 2 0.0103 0.0322 0.0509
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0654 0.3236 0.3237
Onchocerca volvulus 0.0252 0.1111 1
Brugia malayi follicle stimulating hormone receptor 0.0238 0.1038 0.1038
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0017 0.0017
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0654 0.3236 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0017 0.0027
Echinococcus multilocularis MAM 0.0228 0.0983 0.1552
Mycobacterium ulcerans lipase LipD 0.0042 0 0.5
Echinococcus granulosus roundabout 2 0.0103 0.0322 0.0509
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0079 0.0194 0.0306
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0 0.5
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0654 0.3236 0.5
Toxoplasma gondii UDP-glucose 4-epimerase 0.0654 0.3236 1
Loa Loa (eye worm) hypothetical protein 0.1674 0.8633 0.8636
Echinococcus multilocularis Immunoglobulin 0.0079 0.0194 0.0306
Brugia malayi hypothetical protein 0.0103 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0079 0.0194 0.0194
Brugia malayi Protein kinase domain containing protein 0.1239 0.6332 0.6332
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0017 0.0017
Brugia malayi Fibronectin type III domain containing protein 0.0103 0.0322 0.0322
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.0037 0.0037
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.1038 0.1039
Loa Loa (eye worm) hypothetical protein 0.0079 0.0194 0.0194
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0268 0.1198 1
Onchocerca volvulus 0.0228 0.0983 0.8843
Echinococcus multilocularis UDP glucose 4 epimerase 0.0654 0.3236 0.511
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0654 0.3236 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.0031 0.0096
Loa Loa (eye worm) hypothetical protein 0.1209 0.6173 0.6175

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.67 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 SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.628 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) -4.62 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) -4.61 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) -4.586 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) -4.583 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) -4.583 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) -4.565 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) -4.55 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.