Detailed information for compound 1715032

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.304 | Formula: C21H21Cl2NO
  • H donors: 0 H acceptors: 1 LogP: 5.07 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)[C@H]1N(CC2CC2)C(=O)CC[C@@H]1c1cccc(c1)Cl
  • InChi: 1S/C21H21Cl2NO/c22-17-8-6-15(7-9-17)21-19(16-2-1-3-18(23)12-16)10-11-20(25)24(21)13-14-4-5-14/h1-3,6-9,12,14,19,21H,4-5,10-11,13H2/t19-,21-/m1/s1
  • InChiKey: DPTQNKRWFNZOCQ-TZIWHRDSSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens MDM2 proto-oncogene, E3 ubiquitin protein ligase Starlite/ChEMBL References

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 0.01 0.0671 1
Schistosoma mansoni hypothetical protein 0.0167 0.1202 1
Schistosoma mansoni hypothetical protein 0.0167 0.1202 1
Schistosoma mansoni zinc finger protein 0.0019 0.0019 0.0162
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0671 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0671 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0605 0.5032
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0605 0.0605
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0042 0.0042
Schistosoma mansoni hypothetical protein 0.0032 0.0122 0.1017
Brugia malayi Bromodomain containing protein 0.0037 0.0164 0.2437
Schistosoma mansoni rho gtpase activating protein 0.0017 0.0001 0.0006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0605 0.0605
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0122 0.0122
Echinococcus granulosus GPCR family 2 0.0032 0.0122 0.0122
Echinococcus granulosus geminin 0.0167 0.1202 0.1202
Brugia malayi Bromodomain containing protein 0.0072 0.0448 0.6666
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0122 0.1813
Schistosoma mansoni hypothetical protein 0.0032 0.0122 0.1017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0605 0.5032
Loa Loa (eye worm) hypothetical protein 0.0068 0.0414 0.6177
Brugia malayi PHD-finger family protein 0.0024 0.0061 0.0894
Echinococcus multilocularis GPCR, family 2 0.0032 0.0122 0.0122
Echinococcus multilocularis active breakpoint cluster region 0.1267 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0146 0.0146
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0005 0.0071
Echinococcus granulosus intersectin 2 0.0017 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0069 0.0417 0.6215
Schistosoma mansoni hypothetical protein 0.0069 0.0417 0.347
Loa Loa (eye worm) hypothetical protein 0.0041 0.0198 0.2946
Schistosoma mansoni hypothetical protein 0.0032 0.0122 0.1017
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0122 0.0122
Echinococcus granulosus zinc finger protein 0.0019 0.0019 0.0019
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0122 0.1813
Schistosoma mansoni bromodomain containing protein 0.0061 0.0357 0.297
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0122 0.0122
Echinococcus multilocularis geminin 0.0167 0.1202 0.1202
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0122 0.0122
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0417 0.6211
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0037 0.0165 0.2454
Schistosoma mansoni hypothetical protein 0.0032 0.0122 0.1017
Loa Loa (eye worm) hypothetical protein 0.0039 0.0183 0.2726
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0605 0.9013
Echinococcus multilocularis intersectin 2 0.0017 0.0002 0.0002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0605 0.0605
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0671 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0329 0.0329
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0605 0.9014
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0028 0.0412
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.002 0.0028 0.023
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0329 0.0329
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0605 0.0605
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0605 0.5032
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0122 0.1822
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0042 0.0353
Loa Loa (eye worm) hypothetical protein 0.0032 0.0122 0.1822
Echinococcus multilocularis zinc finger protein 0.0019 0.0019 0.0019

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.82 uM Inhibition of human MDM2-p53 interaction after 18 hrs by HTRF assay ChEMBL. 22524527
IC50 (binding) = 1.5 uM Inhibition of human MDM2-p53 interaction after 18 hrs by HTRF assay ChEMBL. 22524527
IC50 (binding) > 30 uM Inhibition of human MDM2-p53 interaction after 18 hrs by HTRF assay in presence of 15% human serum ChEMBL. 22524527

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

1 literature reference was collected for this gene.

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