Detailed information for compound 306765

Basic information

Technical information
  • TDR Targets ID: 306765
  • Name: 15677-15-3
  • MW: 130.186 | Formula: C10H10
  • H donors: 0 H acceptors: 0 LogP: 2.58 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc2c(c1)C1CC1C2
  • InChi: 1S/C10H10/c1-2-4-9-7(3-1)5-8-6-10(8)9/h1-4,8,10H,5-6H2
  • InChiKey: UVWBCEZWTSQQJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,1a,6,6a-Tetrahydrocycloprop[a]indene
  • Cycloprop[a]indene, 1,1a,6,6a-tetrahydro-

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
Entamoeba histolytica carbonic anhydrase, putative 0.1304 0.719 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0075 0.0215 0.0322
Loa Loa (eye worm) hypothetical protein 0.0535 0.2823 0.2823
Onchocerca volvulus 0.0097 0.0338 0.1686
Onchocerca volvulus Dual oxidase homolog 0.0107 0.0397 0.2396
Onchocerca volvulus Chorion peroxidase homolog 0.0107 0.0397 0.2396
Echinococcus multilocularis peroxidasin 0.0107 0.0397 0.01
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1138 0.6248 0.863
Onchocerca volvulus Peroxidase homolog 0.0107 0.0397 0.2396
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1138 0.6248 1
Echinococcus granulosus cytochrome c oxidase subunit II 0.0309 0.1542 0.22
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0093 0.0318 0.1448
Echinococcus multilocularis carbonic anhydrase II 0.1138 0.6248 1
Onchocerca volvulus Peroxidasin homolog 0.0107 0.0397 0.2396
Schistosoma mansoni cytochrome c oxidase subunit II 0.0253 0.1224 0.1318
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0726 0.3911 0.6855
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0075 0.0215 0.1205
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.104 0.569 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.083 0.4498 0.7893
Schistosoma mansoni peroxidasin 0.0107 0.0397 0.0114
Echinococcus multilocularis carbonic anhydrase 0.0535 0.2823 0.4204
Plasmodium falciparum carbonic anhydrase 0.0535 0.2823 1
Onchocerca volvulus 0.0107 0.0397 0.2396
Onchocerca volvulus Peroxidase homolog 0.0107 0.0397 0.2396
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0535 0.2823 0.4518
Onchocerca volvulus 0.0093 0.0318 0.1448
Trichomonas vaginalis conserved hypothetical protein 0.1514 0.8382 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0535 0.2823 0.4518
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0535 0.2823 0.2823
Entamoeba histolytica ankyrin, putative 0.0075 0.0215 0.0254
Entamoeba histolytica acetyltransferase, putative 0.0075 0.0215 0.0254
Mycobacterium ulcerans transmembrane cytochrome C oxidase (subunit II) CtaC 0.0093 0.0318 0.0342
Loa Loa (eye worm) animal heme peroxidase 0.0107 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Loa Loa (eye worm) serotonin transporter b 0.0097 0.0338 0.0338
Loa Loa (eye worm) animal heme peroxidase 0.0107 0.0397 0.0397
Toxoplasma gondii hypothetical protein 0.0535 0.2823 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0338 0.0338
Schistosoma mansoni carbonic anhydrase-related 0.0535 0.2823 0.3645
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0097 0.0338 0.0029
Echinococcus granulosus carbonic anhydrase II 0.1138 0.6248 1
Echinococcus granulosus carbonic anhydrase 0.0535 0.2823 0.4323
Brugia malayi Peroxidasin 0.0107 0.0397 0.0635
Onchocerca volvulus Peroxidasin homolog 0.0107 0.0397 0.2396
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0093 0.0318 0.1448
Echinococcus granulosus carbonic anhydrase 0.0535 0.2823 0.4323
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Schistosoma mansoni sodium/chloride dependent transporter 0.0097 0.0338 0.0029
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1138 0.6248 0.863
Brugia malayi Blistered cuticle protein 3 0.0107 0.0397 0.0635
Schistosoma mansoni peroxidasin 0.0107 0.0397 0.0114
Echinococcus granulosus serotonin transporter 0.0097 0.0338 0.0205
Mycobacterium ulcerans transferase 0.0072 0.0198 0.0198
Brugia malayi hypothetical protein 0.0107 0.0397 0.0635
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1304 0.719 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Trichomonas vaginalis conserved hypothetical protein 0.1514 0.8382 1
Loa Loa (eye worm) animal heme peroxidase 0.0107 0.0397 0.0397
Schistosoma mansoni carbonic anhydrase 0.1304 0.719 1
Schistosoma mansoni carbonic anhydrase-related 0.0535 0.2823 0.3645
Mycobacterium tuberculosis Probable transmembrane cytochrome C oxidase (subunit II) CtaC 0.0093 0.0318 0.0505
Trypanosoma brucei carbonic anhydrase-like protein 0.1138 0.6248 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1138 0.6248 0.6248
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1138 0.6248 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0338 0.0338
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0075 0.0215 0.1205
Onchocerca volvulus Putative sulfate transporter 0.0218 0.1027 1
Loa Loa (eye worm) cytochrome oxidase subunit 2 0.0056 0.0106 0.0106
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0535 0.2823 0.4518
Onchocerca volvulus 0.0107 0.0397 0.2396
Loa Loa (eye worm) norepinephrine transporter 0.0097 0.0338 0.0338
Brugia malayi Animal haem peroxidase family protein 0.0107 0.0397 0.0635
Mycobacterium ulcerans carbonic anhydrase 0.1304 0.719 0.8572
Schistosoma mansoni hypothetical protein 0.0535 0.2823 0.3645
Loa Loa (eye worm) blistered cuticle protein 3 0.0107 0.0397 0.0397
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0309 0.1542 1
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0093 0.0318 0.1448
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0535 0.2823 0.4518
Brugia malayi Animal haem peroxidase family protein 0.0107 0.0397 0.0635
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0535 0.2823 0.2823
Schistosoma mansoni carbonic anhydrase-related 0.0535 0.2823 0.3645
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Mycobacterium ulcerans carbonic anhydrase 0.1514 0.8382 1
Brugia malayi Animal haem peroxidase family protein 0.0107 0.0397 0.0635
Schistosoma mansoni carbonic anhydrase 0.0535 0.2823 0.3645
Onchocerca volvulus 0.0107 0.0397 0.2396
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Brugia malayi Animal haem peroxidase family protein 0.0107 0.0397 0.0635
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0252 0.1219 0.2097
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0535 0.2823 0.4518
Loa Loa (eye worm) carbonic anhydrase 3 0.1138 0.6248 0.6248
Loa Loa (eye worm) animal heme peroxidase 0.0107 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Echinococcus granulosus peroxidasin 0.0107 0.0397 0.0302
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1138 0.6248 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0097 0.0338 0.5
Echinococcus multilocularis carbonic anhydrase 0.0535 0.2823 0.4204
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1138 0.6248 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0216 0.1012 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0097 0.0338 0.0541
Leishmania major carbonic anhydrase family protein, putative 0.1304 0.719 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0338 0.0338
Echinococcus granulosus carbonic anhydrase 0.0535 0.2823 0.4323
Loa Loa (eye worm) solute carrier family 6 member 4 0.0097 0.0338 0.0338
Leishmania major carbonic anhydrase-like protein 0.1138 0.6248 0.8685
Onchocerca volvulus 0.0218 0.1027 1
Mycobacterium leprae Probable transmembrane transport protein 0.0252 0.1219 0.1571
Mycobacterium leprae PROBABLE TRANSFERASE 0.0072 0.0198 0.013
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Loa Loa (eye worm) hypothetical protein 0.0107 0.0397 0.0397
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0093 0.0318 0.1448
Brugia malayi Animal haem peroxidase family protein 0.0107 0.0397 0.0635
Echinococcus multilocularis carbonic anhydrase 0.0535 0.2823 0.4204

Activities

Activity type Activity value Assay description Source Reference
K inact (binding) = 0.2 min-1 Kinetic constant for inactivation (k inact) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla ChEMBL. No reference
K inact (binding) = 0.2 min-1 Kinetic constant for inactivation (k inact) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla ChEMBL. No reference
Ki (binding) = 3.03 mM Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla ChEMBL. No reference
Ki (binding) = 3.03 mM Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase(DBH) from bovine adrenal medulla ChEMBL. No reference
Ratio (binding) = 70 M-1 min-1 Ratio of kinetic constant k inact to KI was determined 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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