Detailed information for compound 957008

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 554.683 | Formula: C32H38N6O3
  • H donors: 2 H acceptors: 3 LogP: 2.27 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Nc1ccc(cc1)/C=C/1\CCn2c1nc1ccc(cc1c2=O)NC(=O)CCN1CCCC1)CCN1CCCC1
  • InChi: 1S/C32H38N6O3/c39-29(12-18-36-14-1-2-15-36)33-25-7-5-23(6-8-25)21-24-11-20-38-31(24)35-28-10-9-26(22-27(28)32(38)41)34-30(40)13-19-37-16-3-4-17-37/h5-10,21-22H,1-4,11-20H2,(H,33,39)(H,34,40)/b24-21+
  • InChiKey: WOXZFGZZTQTNHQ-DARPEHSRSA-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
Leishmania major 4-coumarate:coa ligase-like protein 0.0079 0.0368 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0037 0.0104 0.2413
Echinococcus granulosus cytochrome P450 2K1 0.0037 0.0104 0.0189
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0223 0.0967
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.002 0.0546
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0037 0.0104 1
Brugia malayi AMP-binding enzyme family protein 0.0079 0.0368 0.1658
Loa Loa (eye worm) hypothetical protein 0.0059 0.0243 0.1065
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0037 0.0104 0.2828
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0079 0.0368 1
Trypanosoma brucei cytochrome P450, putative 0.0037 0.0104 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0079 0.0368 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0079 0.0368 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0037 0.0104 0.2413
Loa Loa (eye worm) hypothetical protein 0.036 0.2115 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.0322 0.0682
Echinococcus multilocularis tumor protein p63 0.0375 0.221 0.4937
Loa Loa (eye worm) DOMON domain-containing protein 0.0069 0.0304 0.1357
Schistosoma mansoni dopamine-beta-monooxygenase 0.0681 0.4116 0.9235
Echinococcus multilocularis microtubule associated protein 2 0.0735 0.4456 1
Loa Loa (eye worm) DOMON domain-containing protein 0.0069 0.0304 0.1357
Schistosoma mansoni hypothetical protein 0.0037 0.0104 0.0189
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.036 0.2115 0.4724
Loa Loa (eye worm) CYP4Cod1 0.0037 0.0104 0.04
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0037 0.0104 0.2828
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0023 0.002 0.0546
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.0104 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.002 0.0546
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0059 0.0243 0.5
Leishmania major cytochrome p450-like protein 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0079 0.0368 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0037 0.0104 0.2413
Leishmania major 4-coumarate:coa ligase-like protein 0.0079 0.0368 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0037 0.0104 0.2828
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0037 0.0104 0.2413
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0079 0.0368 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0023 0.002 0.5
Brugia malayi DOMON domain containing protein 0.0069 0.0304 0.1357
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0037 0.0104 0.2828
Leishmania major 4-coumarate:coa ligase-like protein 0.0079 0.0368 1
Loa Loa (eye worm) hypothetical protein 0.036 0.2115 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0243 0.1065
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0037 0.0104 0.2828
Onchocerca volvulus 0.0069 0.0304 0.8185
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0037 0.0104 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0037 0.0104 0.2413
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.002 0.0546
Brugia malayi AMP-binding enzyme family protein 0.0079 0.0368 0.1658
Mycobacterium ulcerans acyl-CoA synthetase 0.0079 0.0368 1
Onchocerca volvulus 0.0055 0.0217 0.5676
Mycobacterium leprae Conserved hypothetical protein 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0023 0.002 0.0546
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0079 0.0368 1
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.0104 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0177 0.0979 0.4576
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0037 0.0104 0.2828
Brugia malayi Cytochrome P450 family protein 0.0056 0.0223 0.0967
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0056 0.0223 0.6071
Loa Loa (eye worm) hypothetical protein 0.0079 0.0368 0.1658
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.002 0.0546
Brugia malayi AMP-binding enzyme family protein 0.0079 0.0368 0.1658
Onchocerca volvulus 0.0079 0.0368 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0217 0.0941
Trichomonas vaginalis antibiotic synthetase, putative 0.0023 0.002 0.5
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0037 0.0104 0.2828
Entamoeba histolytica acyl-coA synthetase, putative 0.0079 0.0368 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0037 0.0104 0.2828
Brugia malayi DOMON domain containing protein 0.0069 0.0304 0.1357
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0023 0.002 0.0546
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0182 0.1012 0.4735
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0059 0.0243 0.6617
Loa Loa (eye worm) hypothetical protein 0.0059 0.0243 0.1065
Leishmania major cytochrome p450-like protein 0.0037 0.0104 0.2413
Loa Loa (eye worm) hypothetical protein 0.0079 0.0368 0.1658
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0037 0.0104 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0037 0.0104 0.2828
Loa Loa (eye worm) hypothetical protein 0.0059 0.0243 0.1065
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0037 0.0104 0.2413
Brugia malayi Cytochrome P450 family protein 0.0037 0.0104 0.04
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0037 0.0104 0.2828
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.0104 0.04
Brugia malayi Cytochrome P450 family protein 0.0037 0.0104 0.04
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0037 0.0104 0.2413
Echinococcus granulosus microtubule associated protein 2 0.0735 0.4456 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0037 0.0104 0.2413
Entamoeba histolytica acyl-CoA synthetase, putative 0.0079 0.0368 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0037 0.0104 0.2413
Onchocerca volvulus 0.0069 0.0304 0.8185
Loa Loa (eye worm) cytochrome P450 0.0037 0.0104 0.04
Entamoeba histolytica acyl-CoA synthetase, putative 0.0079 0.0368 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0037 0.0104 0.2413
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0037 0.0104 0.2828
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0037 0.0104 0.2413
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0217 0.0445
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0037 0.0104 0.2413
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0079 0.0368 1
Schistosoma mansoni peptidylglycine monooxygenase 0.036 0.2115 0.4724
Plasmodium falciparum acyl-CoA synthetase 0.0059 0.0243 1
Schistosoma mansoni cytochrome P450 0.0037 0.0104 0.0189
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.036 0.2115 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0037 0.0104 0.2413
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0023 0.002 0.0546
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0059 0.0243 0.6421
Brugia malayi Cytochrome P450 family protein 0.0037 0.0104 0.04
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0037 0.0104 0.2828
Brugia malayi cytochrome P450 0.0037 0.0104 0.04
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.036 0.2115 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0037 0.0104 0.2828
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.0322 0.0682
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0023 0.002 0.0546
Plasmodium vivax acyl-CoA synthetase, putative 0.0059 0.0243 1
Brugia malayi DOMON domain containing protein 0.0069 0.0304 0.1357
Mycobacterium ulcerans hypothetical protein 0.0079 0.0368 1
Schistosoma mansoni peptidyl-glycine monooxygenase 0.036 0.2115 0.4724
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0037 0.0104 0.2828
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0056 0.0223 0.6071
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0056 0.0223 0.6071
Leishmania major cytochrome p450-like protein 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0037 0.0104 0.2828
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.0104 0.04
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0023 0.002 0.0546
Echinococcus multilocularis 0.0037 0.0104 0.0189
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0056 0.0223 0.6071
Loa Loa (eye worm) hypothetical protein 0.0079 0.0368 0.1658
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0037 0.0104 0.2828
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0037 0.0104 0.2828
Mycobacterium leprae putative cytochrome p450 0.0037 0.0104 0.2413
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0037 0.0104 0.2828
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0037 0.0104 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0037 0.0104 0.2828
Echinococcus granulosus tumor protein p63 0.0375 0.221 0.4937
Mycobacterium ulcerans acyl-CoA synthetase 0.0079 0.0368 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0037 0.0104 0.2828
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.036 0.2115 0.4724
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.002 0.0546
Loa Loa (eye worm) hypothetical protein 0.0059 0.0243 0.1065
Mycobacterium ulcerans acyl-CoA synthetase 0.0079 0.0368 1
Schistosoma mansoni microtubule-associated protein tau 0.0735 0.4456 1
Loa Loa (eye worm) DOMON domain-containing protein 0.0069 0.0304 0.1357
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0079 0.0368 1

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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