Detailed information for compound 1317067

Basic information

Technical information
  • TDR Targets ID: 1317067
  • Name: 6-(2-chloro-6-fluorophenyl)-9-(4-methoxypheny l)-5,6,8,9,10,11-hexahydrobenzo[c][1,5]benzod iazepin-7-one
  • MW: 448.916 | Formula: C26H22ClFN2O2
  • H donors: 2 H acceptors: 1 LogP: 5.51 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1c(F)cccc1Cl
  • InChi: 1S/C26H22ClFN2O2/c1-32-17-11-9-15(10-12-17)16-13-22-25(23(31)14-16)26(24-18(27)5-4-6-19(24)28)30-21-8-3-2-7-20(21)29-22/h2-12,16,26,29-30H,13-14H2,1H3
  • InChiKey: XSNLCTYJONDVHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(2-chloro-6-fluoro-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[c][1,5]benzodiazepin-7-one
  • A2226/0093781
  • Oprea1_241202
  • CBMicro_041793
  • BIM-0041828.P001

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 smdr2 0.032 1 1
Loa Loa (eye worm) hypothetical protein 0.032 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.032 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.032 1 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.5889 0.5889
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.032 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.032 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0103 0.2692 0.5
Echinococcus granulosus multidrug resistance protein 1 0.032 1 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.2692 0.2692
Echinococcus multilocularis ATP binding cassette sub family B 0.0103 0.2692 0.2692
Echinococcus multilocularis ATP binding cassette sub family B 0.0316 0.9879 0.9879
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0115 0.3124 0.0976
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0115 0.3124 0.3124
Entamoeba histolytica P-glycoprotein-2, putative 0.032 1 1
Echinococcus multilocularis 0.0103 0.2692 0.2692
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0115 0.3124 1
Trichomonas vaginalis ABC transporter, putative 0.032 1 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.3124 0.3124
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0103 0.2692 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.032 1 1
Echinococcus granulosus sodium channel protein 0.0093 0.238 0.238
Brugia malayi multidrug resistance related protein 1 0.0115 0.3124 0.3124
Giardia lamblia ABC transporter, putative 0.0115 0.3124 1
Schistosoma mansoni multidrug resistance protein 0.0115 0.3124 0.3124
Leishmania major ABC-thiol transporter 0.0115 0.3124 0.0976
Echinococcus granulosus multidrug resistance associated protein 7 0.0115 0.3124 0.3124
Entamoeba histolytica P-glycoprotein 6, putative 0.0103 0.2692 0.0162
Schistosoma mansoni multidrug resistance protein 0.0115 0.3124 0.3124
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0103 0.2692 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.2572 0.2572
Loa Loa (eye worm) hypothetical protein 0.0031 0.0267 0.0267
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0103 0.2692 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.032 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0115 0.3124 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0115 0.3124 0.0743
Loa Loa (eye worm) hypothetical protein 0.0115 0.3124 0.3124
Brugia malayi ABC transporter family protein 0.032 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0031 0.0267 0.0267
Trypanosoma brucei p-glycoprotein 0.0115 0.3124 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0103 0.2692 0.2692
Loa Loa (eye worm) multidrug resistance protein 3 0.032 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0115 0.3124 0.0743
Loa Loa (eye worm) hypothetical protein 0.0112 0.3003 0.3003
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.032 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0267 0.0267
Schistosoma mansoni smdr1 0.0103 0.2692 0.2692
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0115 0.3124 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0092 0.233 0.233
Giardia lamblia Multidrug resistance-associated protein 1 0.0115 0.3124 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0103 0.2692 0.5
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0103 0.2692 0.041
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0221 0.6663 0.6663
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.032 1 1
Leishmania major p-glycoprotein 0.032 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0031 0.0267 0.0267
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.032 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.032 1 1
Loa Loa (eye worm) ABC transporter 0.0103 0.2692 0.2692
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0092 0.233 0.233
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0031 0.0267 0.0267
Leishmania major pentamidine resistance protein 1 0.0115 0.3124 0.0976
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0115 0.3124 0.0591
Echinococcus granulosus voltage gated potassium channel 0.0031 0.0267 0.0267
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0103 0.2692 0.5
Echinococcus multilocularis multidrug resistance protein 1 0.0221 0.6663 0.6663
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.032 1 1
Brugia malayi ABC transporter 0.0103 0.2692 0.2692
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.032 1 1
Entamoeba histolytica P-glycoprotein-1 0.032 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0103 0.2692 0.2692
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.032 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0112 0.3003 0.7817
Echinococcus multilocularis ATP binding cassette sub family B 0.0103 0.2692 0.2692
Echinococcus granulosus multidrug resistance protein 1 0.032 1 1
Schistosoma mansoni multidrug resistance protein 0.032 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.032 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0092 0.233 0.233
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.032 1 1
Schistosoma mansoni voltage-gated potassium channel 0.01 0.2597 0.2597
Entamoeba histolytica P-glycoprotein-2 0.032 1 1
Onchocerca volvulus 0.032 1 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0099 0.2572 0.2572
Brugia malayi hypothetical protein 0.0103 0.2692 0.2692
Echinococcus multilocularis multidrug resistance protein 1 0.032 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0092 0.233 0.233
Entamoeba histolytica ATP-binding cassette protein, putative 0.0115 0.3124 0.0743
Schistosoma mansoni multidrug resistance protein 0.032 1 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0115 0.3124 0.3124
Entamoeba histolytica P-glycoprotein 5, putative 0.032 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0103 0.2692 0.2692
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0093 0.238 0.238
Trichomonas vaginalis abcb9, putative 0.032 1 1
Schistosoma mansoni multidrug resistance protein 0.0103 0.2692 0.2692
Loa Loa (eye worm) ABC transporter 0.0103 0.2692 0.2692
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0103 0.2692 0.5
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0103 0.2692 0.2692
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0115 0.3124 0.0976
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.032 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.032 1 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0103 0.2692 0.2692
Trichomonas vaginalis ABC transporter, putative 0.032 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0081 0.1948 0.1948
Plasmodium vivax multidrug resistance protein 1, putative 0.032 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.032 1 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0316 0.9879 0.9879
Loa Loa (eye worm) hypothetical protein 0.0316 0.9879 0.9879
Schistosoma mansoni multidrug resistance protein 0.032 1 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0198 0.5889 0.5889
Giardia lamblia Multidrug resistance-associated protein 1 0.0115 0.3124 1
Trichomonas vaginalis ABC transporter, putative 0.032 1 1
Giardia lamblia MRP-like ABC transporter 0.0115 0.3124 1
Entamoeba histolytica P-glycoprotein-2 0.032 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0115 0.3124 0.3124
Loa Loa (eye worm) hypothetical protein 0.0198 0.5889 0.5889
Trichomonas vaginalis ABC transporter, half transporter, putative 0.032 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.032 1 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0103 0.2692 0.5
Brugia malayi ABC transporter family protein 0.0103 0.2692 0.2692
Echinococcus multilocularis ATP binding cassette sub family B 0.0103 0.2692 0.2692
Entamoeba histolytica P-glycoprotein-5 0.032 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0115 0.3124 0.0976
Schistosoma mansoni multidrug resistance protein 0.0115 0.3124 0.3124
Loa Loa (eye worm) hypothetical protein 0.0198 0.5889 0.5889
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0031 0.0267 0.0267
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0103 0.2692 0.041
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0103 0.2692 0.041
Schistosoma mansoni multidrug resistance protein 0.0115 0.3124 0.3124
Trichomonas vaginalis ABC transporter, putative 0.032 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0267 0.0267
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.032 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.032 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0099 0.2572 0.2572
Entamoeba histolytica ATP-binding cassette protein, putative 0.0115 0.3124 0.0743
Echinococcus granulosus multidrug resistance protein 1 0.032 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.032 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.032 1 1
Schistosoma mansoni voltage-gated potassium channel 0.01 0.2597 0.2597
Loa Loa (eye worm) hypothetical protein 0.032 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.032 1 1
Leishmania major p-glycoprotein e 0.0115 0.3124 0.0976
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.032 1 1
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0099 0.2572 0.2572
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.032 1 1
Trichomonas vaginalis abcb9, putative 0.032 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.032 1 1
Toxoplasma gondii hypothetical protein 0.0198 0.5889 0.4374
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.032 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0115 0.3124 0.0976
Echinococcus multilocularis sodium channel protein 0.0093 0.238 0.238
Brugia malayi ABC transporter 0.0099 0.2572 0.2572
Brugia malayi ABC transporter transmembrane region family protein 0.0103 0.2692 0.2692
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.032 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.2572 0.2572
Echinococcus granulosus ATP binding cassette sub family B 0.0103 0.2692 0.2692
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.032 1 1
Brugia malayi ABC transporter family protein 0.0103 0.2692 0.2692
Trypanosoma brucei multidrug resistance protein E 0.0115 0.3124 1
Echinococcus granulosus ATP binding cassette sub family B 0.0099 0.2572 0.2572
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0081 0.1948 0.1948
Entamoeba histolytica multidrug resistance protein, putative 0.0115 0.3124 0.0743
Schistosoma mansoni multidrug resistance protein 0.0099 0.2572 0.2572
Brugia malayi ABC transporter family protein 0.0103 0.2692 0.2692
Trichomonas vaginalis ABC transporter, half transporter, putative 0.032 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.032 1 1
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0103 0.2692 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.1947 0.1947
Echinococcus granulosus multidrug resistance protein 1 0.0221 0.6663 0.6663
Echinococcus granulosus multidrug resistance protein 1 0.0221 0.6663 0.6663
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0115 0.3124 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0115 0.3124 1
Plasmodium falciparum multidrug resistance protein 1 0.032 1 1
Entamoeba histolytica P-glyco protein 6, putative 0.032 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0115 0.3124 0.3124
Entamoeba histolytica P-glycoprotein 6, putative 0.0103 0.2692 0.0162
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.032 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0099 0.2572 0.2572
Trichomonas vaginalis taga, putative 0.032 1 1
Trichomonas vaginalis abcb9, putative 0.032 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.032 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.032 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0099 0.2572 0.2572
Entamoeba histolytica ABC transporter, putative 0.0115 0.3124 0.0743
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.032 1 1
Loa Loa (eye worm) ABC transporter 0.0103 0.2692 0.2692
Entamoeba histolytica hypothetical protein 0.0115 0.3124 0.0743
Echinococcus multilocularis multidrug resistance associated protein 1 0.0115 0.3124 0.3124
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.032 1 1
Brugia malayi P-glycoprotein-like protein 0.0103 0.2692 0.2692

Activities

No activities found for this compound.

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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