Detailed information for compound 1522790

Basic information

Technical information
  • TDR Targets ID: 1522790
  • Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynap hthalene-2-carboxamide
  • MW: 357.788 | Formula: C19H16ClNO4
  • H donors: 2 H acceptors: 2 LogP: 4.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)c(cc1NC(=O)c1cc2ccccc2cc1O)Cl
  • InChi: 1S/C19H16ClNO4/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)
  • InChiKey: XDWATWCCUTYUDE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-chloro-2,4-dimethoxy-phenyl)-3-hydroxy-naphthalene-2-carboxamide
  • N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
  • N-(5-chloro-2,4-dimethoxy-phenyl)-3-hydroxy-2-naphthamide
  • 92-72-8
  • Oprea1_054138
  • Enamine_000738
  • 2-Naphthanilide, 5'-chloro-3-hydroxy-2',4'-dimethoxy- (8CI)
  • 5'-Chloro-3-hydroxy-2',4'-dimethoxy-2-naphthanilide
  • EINECS 202-182-9
  • NSC 50687
  • Oprea1_677806
  • ZINC00640080
  • 2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
  • 2-Naphthanilide, 5'-chloro-3-hydroxy-2',4'-dimethoxy-
  • Acco Naf-Sol AS-ITR
  • Acco Naphthol AS-ITR
  • Acna Naphthol SS
  • Amanil Naphthol AS-ITR
  • Azoground ITR
  • Azotol O
  • C.I. 37550
  • C.I. Azoic Coupling Component 12
  • Daito Grounder ITR
  • Hiltonaphthol AS-ITR
  • NSC50687
  • Naphtanilide ITR
  • Naphtazol STR
  • Naphthoide ITR
  • Naphthol AS-ITR
  • Naphtoelan JTR
  • Naphtol AS-ITR
  • Naphtol AS-ITRLL
  • Sanatol ITR
  • Solunaptol ITR
  • Ultrazol IX-ITR

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0154
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.0154 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0154 0.5
Echinococcus granulosus replication factor c subunit 1 0.0012 0.0154 0.031
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.0154 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4963 0.4963
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0154
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0.0154 0.5
Entamoeba histolytica hypothetical protein 0.0012 0.0154 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.4963 1
Echinococcus multilocularis nibrin 0.0012 0.0154 0.031
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.0154 0.031
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0154
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0154 0.5
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.0154 0.5
Treponema pallidum DNA ligase (lig) 0.0012 0.0154 0.5
Onchocerca volvulus 0.0012 0.0154 0.5
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.0154 0.5
Schistosoma mansoni topbp1 0.0012 0.0154 0.031
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4963 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0154
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0.0154 0.5
Brugia malayi TAR-binding protein 0.0076 0.4963 0.4963
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4963 0.4963
Echinococcus granulosus nibrin 0.0012 0.0154 0.031
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.0154 0.031
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0154
Brugia malayi topoisomerase 0.0012 0.0154 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0154 0.5
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0.0154 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0.0154 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Brugia malayi RNA binding protein 0.0076 0.4963 0.4963
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0154 0.5
Giardia lamblia Replication factor C, subunit 1 0.0012 0.0154 0.5
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.0154 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0154 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4963 1
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0.0154 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0154 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0154 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.4963 0.4963
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.0154 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0154 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0154 0.5
Brugia malayi hypothetical protein 0.0012 0.0154 0.0154
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0154 0.5
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0.0154 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4963 0.4963
Brugia malayi DKFZp564C0469 protein 0.0012 0.0154 0.0154
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.0154 0.5
Chlamydia trachomatis DNA ligase 0.0012 0.0154 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0154 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0154
Brugia malayi hypothetical protein 0.0012 0.0154 0.0154
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Schistosoma mansoni DNA ligase IV 0.0012 0.0154 0.031
Schistosoma mansoni topbp1 0.0012 0.0154 0.031

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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