Detailed information for compound 1145095

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 338.554 | Formula: C18H34N4S
  • H donors: 0 H acceptors: 1 LogP: 4.24 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCN(CCc1cnc(s1)N1CCN(CC1)CCC)C
  • InChi: 1S/C18H34N4S/c1-4-6-7-10-20(3)11-8-17-16-19-18(23-17)22-14-12-21(9-5-2)13-15-22/h16H,4-15H2,1-3H3
  • InChiKey: YAKUYUXELHXXTH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Mycobacterium tuberculosis Cyclopropane-fatty-acyl-phospholipid synthase 2 CmaA2 (cyclopropane fatty acid synthase) (CFA synthase) (cyclopropane mycolic ac 0.0039 0.0489 1
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0314 0.5133 0.5051
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0603 1 1
Leishmania major cytochrome p450-like protein 0.0024 0.0236 0.0072
Brugia malayi Synaptic glycoprotein SC2 0.0021 0.019 0.0043
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0945 0.1439
Onchocerca volvulus 0.0039 0.0489 0.1514
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0152 0.24 0.2272
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0021 0.019 0.0046
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0024 0.0236 0.0072
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.019 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0945 0.1439
Brugia malayi Cytochrome P450 family protein 0.0043 0.0548 0.0647
Brugia malayi RNA binding protein 0.0066 0.0945 0.1319
Loa Loa (eye worm) hypothetical protein 0.0039 0.0489 0.0548
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0138 0.2164 0.2033
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.019 1
Mycobacterium ulcerans cyclopropane-fatty-acyl-phospholipid synthase 0.0039 0.0489 0.1171
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0236 0.0119
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.019 0.0113
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0039 0.0489 0.0329
Mycobacterium tuberculosis Possible mycolic acid synthase UmaA 0.0039 0.0489 1
Leishmania major hypothetical protein, conserved 0.0138 0.2164 0.2033
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.0548 0.0647
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.019 0.0026
Plasmodium vivax polyprenol reductase, putative 0.0021 0.019 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0021 0.019 0.0113
Loa Loa (eye worm) cytochrome P450 0.0024 0.0236 0.0119
Mycobacterium ulcerans mycolic acid synthase UmaA 0.0039 0.0489 0.1171
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0945 0.1319
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0021 0.019 0.0113
Loa Loa (eye worm) hypothetical protein 0.0039 0.0489 0.0548
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0021 0.019 0.0792
Echinococcus granulosus geminin 0.0341 0.559 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0024 0.0236 0.0072
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0945 0.1439
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0236 0.0119
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.24 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0024 0.0236 0.0072
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.24 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.24 0.2272
Mycobacterium tuberculosis Probable cyclopropane-fatty-acyl-phospholipid synthase UfaA1 (cyclopropane fatty acid synthase) (CFA synthase) 0.0039 0.0489 1
Schistosoma mansoni hypothetical protein 0.0341 0.559 1
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.019 0.0026
Mycobacterium tuberculosis Cyclopropane-fatty-acyl-phospholipid synthase 1 CmaA1 (cyclopropane fatty acid synthase) (CFA synthase) (cyclopropane mycolic ac 0.0039 0.0489 1
Mycobacterium ulcerans methoxy mycolic acid synthase 4, MmaA4 0.0039 0.0489 0.1171
Mycobacterium leprae METHOXY MYCOLIC ACID SYNTHASE 4 MMAA4 (METHYL MYCOLIC ACID SYNTHASE 4) (MMA4) (HYDROXY MYCOLIC ACID SYNTHASE) 0.0039 0.0489 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0371 0.608 1
Mycobacterium leprae CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 2 CMAA2 (CYCLOPROPANE FATTY ACID SYNTHASE) (CFA SYNTHASE) (CYCLOPROPANE MYCOLIC AC 0.0039 0.0489 1
Brugia malayi Hint module family protein 0.0052 0.0709 0.0919
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0021 0.019 0.0046
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0236 0.0119
Mycobacterium ulcerans cyclopropane-fatty-acyl-phospholipid synthase 2 CmaA2 0.0039 0.0489 0.1171
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.019 0.0113
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0945 0.1319
Leishmania major cytochrome p450-like protein 0.0024 0.0236 0.0072
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0236 0.0072
Entamoeba histolytica hypothetical protein 0.0021 0.019 0.0792
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0371 0.608 0.6015
Brugia malayi Cytochrome P450 family protein 0.0024 0.0236 0.0119
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0165 0.0687
Trypanosoma cruzi Emopamil binding protein, putative 0.0138 0.2164 0.2033
Loa Loa (eye worm) hypothetical protein 0.0021 0.019 0.0043
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0236 0.0072
Plasmodium falciparum polyprenol reductase, putative 0.0021 0.019 1
Loa Loa (eye worm) RNA binding protein 0.0066 0.0945 0.1319
Mycobacterium tuberculosis Methoxy mycolic acid synthase 2 MmaA2 (methyl mycolic acid synthase 2) (MMA2) (hydroxy mycolic acid synthase) 0.0039 0.0489 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.019 0.0113
Mycobacterium ulcerans mycolic acid synthase PcaA 0.0039 0.0489 0.1171
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0152 0.24 0.3778
Leishmania major cytochrome p450-like protein 0.0024 0.0236 0.0072
Mycobacterium tuberculosis Methoxy mycolic acid synthase 1 MmaA1 (methyl mycolic acid synthase 1) (MMA1) (hydroxy mycolic acid synthase) 0.0039 0.0489 1
Schistosoma mansoni hypothetical protein 0.0341 0.559 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.019 0.0043
Mycobacterium leprae METHOXY MYCOLIC ACID SYNTHASE 1 MMAA1 (METHYL MYCOLIC ACID SYNTHASE 1) (MMA1) (HYDROXY MYCOLIC ACID SYNTHASE) 0.0039 0.0489 1
Trypanosoma cruzi Emopamil binding protein, putative 0.0138 0.2164 0.2033
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0945 0.1439
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0152 0.24 1
Mycobacterium leprae POSSIBLE FATTY ACID SYNTHASE 0.0039 0.0489 1
Echinococcus multilocularis synaptic glycoprotein sc2 0.0021 0.019 0.0046
Toxoplasma gondii cytochrome p450 superfamily protein 0.0024 0.0236 0.0982
Echinococcus granulosus Desert hedgehog protein 0.0192 0.3069 0.5353
Mycobacterium tuberculosis Possible fatty acid synthase 0.0039 0.0489 1
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0021 0.019 0.0792
Mycobacterium ulcerans methoxy mycolic acid synthase 5 MmaA5 0.0039 0.0489 0.1171
Echinococcus granulosus tar DNA binding protein 0.0066 0.0945 0.1439
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0021 0.019 0.0792
Loa Loa (eye worm) hypothetical protein 0.0371 0.608 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.24 0.2272
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0294 0.4785 0.7811
Onchocerca volvulus 0.0138 0.2164 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0945 0.1319
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0603 1 1
Mycobacterium tuberculosis Methoxy mycolic acid synthase 4 MmaA4 (methyl mycolic acid synthase 4) (MMA4) (hydroxy mycolic acid synthase) 0.0039 0.0489 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0577 0.076
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0024 0.0236 0.0072
Loa Loa (eye worm) hypothetical protein 0.0052 0.0709 0.0919
Mycobacterium tuberculosis Methoxy mycolic acid synthase 3 MmaA3 (methyl mycolic acid synthase 3) (MMA3) (hydroxy mycolic acid synthase) 0.0039 0.0489 1
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0152 0.24 0.2272
Schistosoma mansoni hypothetical protein 0.014 0.2188 0.373
Mycobacterium tuberculosis Mycolic acid synthase PcaA (cyclopropane synthase) 0.0039 0.0489 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.24 0.3778
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0603 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0945 0.1439
Trypanosoma brucei Sterol methyltransferase, putative 0.0603 1 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0371 0.608 0.6015
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0603 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0577 0.076
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0165 0.0687
Schistosoma mansoni cytochrome P450 0.0024 0.0236 0.013
Brugia malayi Cytochrome P450 family protein 0.0024 0.0236 0.0119
Echinococcus granulosus synaptic glycoprotein sc2 0.0021 0.019 0.0046
Leishmania major C-8 sterol isomerase-like protein 0.0371 0.608 0.6015
Brugia malayi Cytochrome P450 family protein 0.0024 0.0236 0.0119
Echinococcus multilocularis geminin 0.0341 0.559 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0577 0.076
Mycobacterium ulcerans methoxy mycolic acid synthase 3, MmaA3 0.0039 0.0489 0.1171
Echinococcus multilocularis 0.0024 0.0236 0.013
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0021 0.019 0.0792
Brugia malayi cytochrome P450 0.0024 0.0236 0.0119
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0236 0.0072
Mycobacterium ulcerans hypothetical protein 0.0152 0.24 1
Schistosoma mansoni hypothetical protein 0.0024 0.0236 0.013
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0024 0.0236 0.0072
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0152 0.24 1
Mycobacterium leprae MYCOLIC ACID SYNTHASE PCAA (CYCLOPROPANE SYNTHASE) 0.0039 0.0489 1
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0138 0.2164 0.2033
Loa Loa (eye worm) hypothetical protein 0.0039 0.0489 0.0548
Mycobacterium ulcerans methoxy mycolic acid synthase 2, MmaA2 0.0039 0.0489 0.1171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0577 0.076
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0577 0.0697
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.24 1
Brugia malayi TAR-binding protein 0.0066 0.0945 0.1319
Loa Loa (eye worm) hypothetical protein 0.0294 0.4785 0.7811
Entamoeba histolytica recQ family helicase, putative 0.002 0.0165 0.0687
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0945 0.1439
Loa Loa (eye worm) hypothetical protein 0.0052 0.0709 0.0919
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0603 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0577 0.076
Trypanosoma brucei Emopamil binding protein, putative 0.0138 0.2164 0.2033
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0138 0.2164 0.2033
Echinococcus multilocularis hedgehog 0.0192 0.3069 0.5353
Loa Loa (eye worm) hypothetical protein 0.0189 0.3024 0.4833
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0021 0.019 0.0113
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0021 0.019 0.0046
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0021 0.019 0.0046
Leishmania major sterol 24-c-methyltransferase, putative 0.0603 1 1
Giardia lamblia Synaptic glycoprotein SC2 0.0021 0.019 1
Echinococcus granulosus cytochrome P450 2K1 0.0024 0.0236 0.013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0577 0.076
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0577 0.0697
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0577 0.076
Brugia malayi Hint module family protein 0.0052 0.0709 0.0919

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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