Detailed information for compound 1610832

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 480.945 | Formula: C28H21ClN4O2
  • H donors: 0 H acceptors: 2 LogP: 6.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCO/C=N/C1=C(C#N)C(c2c(O1)n(nc2c1ccccc1)c1ccccc1)c1ccc(cc1)Cl
  • InChi: 1S/C28H21ClN4O2/c1-2-34-18-31-27-23(17-30)24(19-13-15-21(29)16-14-19)25-26(20-9-5-3-6-10-20)32-33(28(25)35-27)22-11-7-4-8-12-22/h3-16,18,24H,2H2,1H3/b31-18+
  • InChiKey: KYNYNSOJBPKYSS-FDAWAROLSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus 7tm_1 domain containing protein 0.0259 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi ORL1-like opioid receptor 0.0259 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0259 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0259 1 1
Schistosoma mansoni neuropeptide receptor 0.0259 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0259 1 1
Brugia malayi Melatonin receptor type 1A 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Schistosoma mansoni opsin-like receptor 0.0259 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0259 1 1
Onchocerca volvulus Adenylate cyclase type 2 homolog 0.008 0.1185 0.0187
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0259 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0259 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0259 1 1
Schistosoma mansoni myosin xvIII 0.0259 1 1
Echinococcus granulosus neuropeptide receptor 0.0259 1 1
Brugia malayi Dopamine receptor protein 1 0.0259 1 1
Brugia malayi G protein-coupled receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0259 1 1
Schistosoma mansoni neuropeptide receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi hypothetical protein 0.0259 1 1
Echinococcus granulosus orexin receptor type 2 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.8011 0.7744
Echinococcus granulosus peptide allatostatin:somatostatin 0.0259 1 1
Echinococcus granulosus neuropeptide s receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0259 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus multilocularis allatostatin A receptor 0.0259 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0259 1 1
Brugia malayi Dopamine receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus granulosus fmrfamide receptor 0.0259 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0259 1 1
Echinococcus granulosus g protein coupled receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0259 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0259 1 1
Echinococcus multilocularis adenylate cyclase 9 0.008 0.1185 0.1185
Onchocerca volvulus 0.0259 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0259 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0259 1 1
Echinococcus multilocularis fmrfamide receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi Serotonin receptor 0.0259 1 1
Schistosoma mansoni hypothetical protein 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi hypothetical protein 0.0259 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus granulosus G protein coupled receptor 139 0.0259 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0259 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0259 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus granulosus adenylate cyclase 9 0.008 0.1185 0.1185
Brugia malayi hypothetical protein 0.0259 1 1
Schistosoma mansoni amine GPCR 0.0259 1 1
Schistosoma mansoni opsin-like receptor 0.0259 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Schistosoma mansoni neuropeptide receptor 0.0259 1 1
Schistosoma mansoni biogenic amine receptor 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0259 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0259 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0259 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0259 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Schistosoma mansoni hypothetical protein 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi hypothetical protein 0.0259 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0259 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi AKH receptor 0.0259 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0259 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0259 1 1
Echinococcus granulosus allatostatin A receptor 0.0259 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0259 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0259 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0259 1 1
Echinococcus multilocularis orexin receptor type 2 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus granulosus neuropeptide receptor 0.0259 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0259 1 1
Echinococcus multilocularis sex peptide receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0259 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Onchocerca volvulus 0.008 0.1185 0.0187
Brugia malayi hypothetical protein 0.0259 1 1
Schistosoma mansoni neuropeptide receptor 0.0259 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0259 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0259 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0259 1 1
Brugia malayi neuropeptide F receptor 0.0259 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0259 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0259 1 1
Schistosoma mansoni hypothetical protein 0.0259 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0259 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0259 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0259 1 1
Brugia malayi hypothetical protein 0.0259 1 1
Echinococcus multilocularis serotonin receptor 0.0259 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0259 1 1
Brugia malayi follicle stimulating hormone receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0259 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0259 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0259 1 1
Brugia malayi hypothetical protein 0.0259 1 1
Schistosoma mansoni histamine h1 receptor 0.0259 1 1
Schistosoma mansoni biogenic amine receptor 0.0259 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0259 1 1
Brugia malayi neuropeptide F receptor 0.0259 1 1
Schistosoma mansoni opsin-like receptor 0.0259 1 1
Echinococcus granulosus sex peptide receptor 0.0259 1 1
Echinococcus multilocularis neuropeptide receptor 0.0259 1 1
Echinococcus granulosus g-protein coupled receptor 0.0259 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0259 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0259 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0259 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0259 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0259 1 1
Echinococcus multilocularis g protein coupled receptor 0.0259 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0259 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0259 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0259 1 1
Brugia malayi RE15519p 0.0259 1 1
Brugia malayi hypothetical protein 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0259 1 1
Echinococcus granulosus g protein coupled receptor 0.0259 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0259 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0259 1 1
Brugia malayi sulfakinin receptor protein 0.0259 1 1
Schistosoma mansoni biogenic amine receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0259 1 1
Schistosoma mansoni amine GPCR 0.0259 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0259 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0259 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0259 1 1
Echinococcus granulosus somatostatin receptor 0.0259 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0259 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0259 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0259 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0259 1 1
Echinococcus multilocularis fmrfamide receptor 0.0259 1 1
Echinococcus granulosus serotonin receptor 0.0259 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0259 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0259 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0259 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0259 1 1
Onchocerca volvulus Adenylate cyclase type 3 homolog 0.0222 0.8179 0.7973
Brugia malayi putative neuropeptide receptor 0.0259 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0259 1 1
Brugia malayi Dopamine receptor protein 2 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Echinococcus multilocularis somatostatin receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Echinococcus multilocularis g protein coupled receptor 0.0259 1 1
Schistosoma mansoni amine GPCR 0.0259 1 1
Schistosoma mansoni amine GPCR 0.0259 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0259 1 1
Echinococcus multilocularis g protein coupled receptor 0.0259 1 1
Schistosoma mansoni amine GPCR 0.0259 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0259 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0259 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0259 1 1
Brugia malayi GnHR receptor homolog 0.0259 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0259 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0259 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0259 1 1
Echinococcus granulosus hypothetical protein 0.0259 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0259 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0259 1 1
Brugia malayi G-protein coupled receptor 0.0259 1 1
Brugia malayi G-protein coupled receptor 0.0259 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0259 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0259 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0259 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0259 1 1
Schistosoma mansoni hypothetical protein 0.0259 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi Serotonin receptor 0.0259 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0259 1 1
Schistosoma mansoni adenoreceptor 0.0259 1 1
Echinococcus multilocularis neuropeptide receptor 0.0259 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0259 1 1
Echinococcus granulosus g protein coupled receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Echinococcus multilocularis serotonin receptor 0.0259 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi hypothetical protein 0.0259 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0259 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0259 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0259 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0259 1 1
Brugia malayi larval opioid receptor 0.0259 1 1
Onchocerca volvulus 0.0259 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0259 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.288 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) -5.266 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) -5.247 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) -5.212 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) -5.07 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) -4.934 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) -4.912 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) -4.832 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) -4.796 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

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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