Detailed information for compound 283423

Basic information

Technical information
  • TDR Targets ID: 283423
  • Name: (+)-(S)-6-(Cyclopropylmethyl)-8-amino-5-methy l-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]ben zodiazepin-2(1H)-one
  • MW: 272.346 | Formula: C15H20N4O
  • H donors: 2 H acceptors: 1 LogP: 0.85 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1Cn2c(=O)[nH]c3c2c(CN1CC1CC1)c(N)cc3
  • InChi: 1S/C15H20N4O/c1-9-6-19-14-11(8-18(9)7-10-2-3-10)12(16)4-5-13(14)17-15(19)20/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,17,20)/t9-/m0/s1
  • InChiKey: NUGLLEYOZANNPF-VIFPVBQESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • AIDS-028035
  • AIDS028035

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 multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0037 0.1368 0.2531
Schistosoma mansoni multidrug resistance protein 0.0037 0.1368 0.2638
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0023 0.0499 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3164 0.7793
Entamoeba histolytica P-glycoprotein-5 0.0037 0.1368 0.2638
Schistosoma mansoni lamin 0.0028 0.081 0.1036
Echinococcus granulosus lamin dm0 0.0028 0.081 0.1036
Entamoeba histolytica multidrug resistance protein, putative 0.0079 0.3933 1
Echinococcus multilocularis multidrug resistance associated protein 4 0.0056 0.2499 0.5824
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0079 0.3933 1
Trichomonas vaginalis ABC transporter, putative 0.0037 0.1368 1
Leishmania major ABC-thiol transporter 0.0079 0.3933 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0499 0.0499
Echinococcus multilocularis multidrug resistance associated protein 1 0.0079 0.3933 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0177 1 1
Schistosoma mansoni multidrug resistance protein 0.0079 0.3933 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.3883 0.3883
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3164 0.7793
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0037 0.1368 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0449 0.0449
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0499 0.0544
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0023 0.0499 0.0143
Schistosoma mansoni multidrug resistance protein 0.0079 0.3933 1
Loa Loa (eye worm) ABC transporter 0.0023 0.0499 0.0499
Echinococcus multilocularis multidrug resistance protein 1 0.0037 0.1368 0.2531
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3164 0.7793
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.0499 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0079 0.3933 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0037 0.1368 0.1368
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0037 0.1368 0.5
Trypanosoma brucei p-glycoprotein 0.0079 0.3933 1
Brugia malayi ABC transporter family protein 0.0023 0.0499 0.1269
Echinococcus granulosus multidrug resistance protein 1 0.0037 0.1368 0.2638
Schistosoma mansoni multidrug resistance protein 0.0023 0.0499 0.0143
Brugia malayi Cytochrome P450 family protein 0.0031 0.0987 0.2509
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0023 0.0499 0.5
Trichomonas vaginalis abcb9, putative 0.0037 0.1368 1
Trichomonas vaginalis ABC transporter, putative 0.0037 0.1368 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0037 0.1368 1
Trypanosoma brucei multidrug resistance protein E 0.0079 0.3933 1
Echinococcus granulosus multidrug resistance associated protein 4 0.0056 0.2499 0.5884
Loa Loa (eye worm) TAR-binding protein 0.0067 0.3164 0.3164
Entamoeba histolytica ATP-binding cassette protein, putative 0.0079 0.3933 1
Brugia malayi RNA binding protein 0.0067 0.3164 0.8045
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0079 0.3933 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0037 0.1318 0.2385
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0037 0.1368 1
Brugia malayi ABC transporter family protein 0.0037 0.1368 0.3479
Echinococcus granulosus ATP binding cassette sub family B 0.0023 0.0499 0.0143
Schistosoma mansoni multidrug resistance protein 0.0037 0.1368 0.2638
Schistosoma mansoni multidrug resistance protein 0.0079 0.3933 1
Loa Loa (eye worm) hypothetical protein 0.0177 1 1
Giardia lamblia MRP-like ABC transporter 0.0079 0.3933 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0023 0.0499 0.1269
Entamoeba histolytica ABC transporter, putative 0.0079 0.3933 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0079 0.3933 1
Plasmodium falciparum multidrug resistance protein 1 0.0037 0.1368 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3164 0.7793
Entamoeba histolytica P-glycoprotein-2 0.0037 0.1368 0.2638
Trichomonas vaginalis ABC transporter, putative 0.0037 0.1368 1
Entamoeba histolytica P-glycoprotein-1 0.0037 0.1368 0.2638
Brugia malayi ABC transporter family protein 0.0023 0.0499 0.1269
Loa Loa (eye worm) hypothetical protein 0.0079 0.3933 0.3933
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0037 0.1368 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0037 0.1368 1
Brugia malayi ABC transporter family protein 0.0023 0.0499 0.1269
Echinococcus granulosus multidrug resistance associated protein 1 0.0079 0.3933 1
Brugia malayi ABC transporter 0.0023 0.0499 0.1269
Loa Loa (eye worm) hypothetical protein 0.0079 0.3933 0.3933
Brugia malayi intermediate filament protein 0.0028 0.081 0.206
Loa Loa (eye worm) multidrug resistance protein 3 0.0037 0.1368 0.1368
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0037 0.1368 0.2638
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0037 0.1368 0.2531
Schistosoma mansoni multidrug resistance protein 0.0079 0.3933 1
Echinococcus granulosus multidrug resistance protein 1 0.0037 0.1368 0.2638
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0037 0.1368 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0037 0.1368 0.2531
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0037 0.1368 1
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.3164 0.8045
Loa Loa (eye worm) ABC transporter 0.0023 0.0499 0.0499
Echinococcus multilocularis lamin 0.0028 0.081 0.0906
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0037 0.1368 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1368 0.1368
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.0499 0.5
Schistosoma mansoni smdr2 0.0037 0.1368 0.2638
Echinococcus multilocularis lamin dm0 0.0028 0.081 0.0906
Toxoplasma gondii hypothetical protein 0.0177 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0023 0.0499 0.0143
Echinococcus granulosus tar DNA binding protein 0.0067 0.3164 0.7793
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0037 0.1368 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0079 0.3933 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0023 0.0499 0.5
Leishmania major pentamidine resistance protein 1 0.0079 0.3933 1
Schistosoma mansoni lamin 0.0028 0.081 0.1036
Entamoeba histolytica hypothetical protein 0.0079 0.3933 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0037 0.1368 0.2638
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0037 0.1368 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0037 0.1368 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.3164 0.7761
Entamoeba histolytica P-glycoprotein 6, putative 0.0023 0.0499 0.0143
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0079 0.3933 1
Brugia malayi hypothetical protein 0.0023 0.0499 0.1269
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0079 0.3933 0.3614
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0037 0.1368 0.2638
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0037 0.1368 0.2531
Leishmania major p-glycoprotein 0.0037 0.1368 0.2531
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0037 0.1368 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0037 0.1368 0.2638
Echinococcus multilocularis multidrug resistance protein 1 0.0037 0.1368 0.2531
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0037 0.1368 0.0915
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0023 0.0499 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0987 0.0987
Echinococcus multilocularis multidrug resistance associated protein 7 0.0079 0.3933 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0037 0.1368 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0079 0.3933 1
Giardia lamblia ABC transporter, putative 0.0079 0.3933 1
Loa Loa (eye worm) hypothetical protein 0.0177 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0079 0.3933 1
Echinococcus granulosus ATP binding cassette sub family B 0.0023 0.0499 0.0143
Brugia malayi ABC transporter transmembrane region family protein 0.0023 0.0499 0.1269
Brugia malayi multidrug resistance protein 3 0.0037 0.1368 0.3479
Schistosoma mansoni multidrug resistance protein 0.0037 0.1368 0.2638
Trichomonas vaginalis taga, putative 0.0037 0.1368 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3164 0.7793
Loa Loa (eye worm) hypothetical protein 0.0037 0.1318 0.1318
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.081 0.206
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0037 0.1368 0.2531
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0079 0.3933 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0778 0.0778
Entamoeba histolytica P-glyco protein 6, putative 0.0037 0.1368 0.2638
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0023 0.0499 0.5
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0023 0.0499 0.5
Schistosoma mansoni intermediate filament proteins 0.0028 0.081 0.1036
Brugia malayi ABC transporter transmembrane region family protein 0.0022 0.0449 0.1142
Brugia malayi ABC transporter 0.0022 0.0449 0.1142
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0037 0.1368 1
Onchocerca volvulus 0.0037 0.1368 1
Leishmania major p-glycoprotein e 0.0079 0.3933 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0079 0.3933 0.3933
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.0499 0.5
Brugia malayi multidrug resistance related protein 1 0.0079 0.3933 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0037 0.1368 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0078 0.3883 0.9857
Echinococcus granulosus intermediate filament protein 0.0028 0.081 0.1036
Echinococcus multilocularis musashi 0.0028 0.081 0.0906
Entamoeba histolytica P-glycoprotein-2 0.0037 0.1368 0.2638
Giardia lamblia Multidrug resistance-associated protein 1 0.0079 0.3933 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1368 0.1368
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0037 0.1368 1
Echinococcus granulosus multidrug resistance protein 1 0.0037 0.1368 0.2638
Loa Loa (eye worm) RNA binding protein 0.0067 0.3164 0.3164
Loa Loa (eye worm) intermediate filament protein 0.0028 0.081 0.081
Loa Loa (eye worm) multidrug resistance-associated protein 0.0057 0.2549 0.2549
Loa Loa (eye worm) ABC transporter 0.0023 0.0499 0.0499
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0037 0.1368 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.081 0.081
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0079 0.3933 1
Trichomonas vaginalis abcb9, putative 0.0037 0.1368 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0079 0.3933 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.081 0.081
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0037 0.1368 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0037 0.1368 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0079 0.3933 1
Trichomonas vaginalis ABC transporter, putative 0.0037 0.1368 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0037 0.1368 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.3164 0.3164
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0037 0.1368 0.2531
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0037 0.1368 0.0915
Trypanosoma cruzi hypothetical protein 0.0056 0.2499 0.5824
Entamoeba histolytica P-glycoprotein 5, putative 0.0037 0.1368 0.2638
Brugia malayi TAR-binding protein 0.0067 0.3164 0.8045
Plasmodium vivax multidrug resistance protein 1, putative 0.0037 0.1368 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0037 0.1368 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0037 0.1368 1
Echinococcus granulosus lamin 0.0028 0.081 0.1036
Trichomonas vaginalis abcb9, putative 0.0037 0.1368 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0079 0.3933 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0037 0.1318 0.2494
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0079 0.3933 1
Schistosoma mansoni smdr1 0.0023 0.0499 0.0143
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0037 0.1368 1
Brugia malayi P-glycoprotein-like protein 0.0023 0.0499 0.1269
Entamoeba histolytica P-glycoprotein-2, putative 0.0037 0.1368 0.2638
Brugia malayi ABC transporter transmembrane region family protein 0.0079 0.3933 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.071 Inhibition of HIV1 reverse transcriptase ChEMBL. 18760864
IC50 (functional) = 849 uM Concentration required for 50% protection of MT-4 cells against the cytopathic effect of HIV-1 ChEMBL. 7877144

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.

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