Detailed information for compound 1758265

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 471.632 | Formula: C27H41N3O4
  • H donors: 2 H acceptors: 3 LogP: 3.78 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H](N1C[C@@H](C)[C@H](CN(CC2CCCCC2)C)Oc2c(C1=O)cc(cc2)NC(=O)C1CC1)C
  • InChi: 1S/C27H41N3O4/c1-18-14-30(19(2)17-31)27(33)23-13-22(28-26(32)21-9-10-21)11-12-24(23)34-25(18)16-29(3)15-20-7-5-4-6-8-20/h11-13,18-21,25,31H,4-10,14-17H2,1-3H3,(H,28,32)/t18-,19+,25+/m1/s1
  • InChiKey: RZKDUVXCVDUJNN-WYEJZRMESA-N  

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
Loa Loa (eye worm) fatty acid synthase 0.0058 0.4277 0.4318
Echinococcus multilocularis transient receptor potential cation channel 0.0087 0.7437 0.0001
Brugia malayi cation channel family protein 0.0087 0.7437 0.7437
Onchocerca volvulus Fatty acid synthase homolog 0.0106 0.9416 1
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0087 0.7437 0.7437
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0087 0.7437 0.6382
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Mycobacterium ulcerans thioesterase 0.0049 0.3311 0.443
Echinococcus multilocularis transient receptor potential cation channel 0.0091 0.7831 1
Mycobacterium ulcerans polyketide synthase 0.0062 0.4752 0.6357
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0062 0.4752 0.6357
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0087 0.7476 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0059 0.4361 0.5834
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0087 0.7437 0.5
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0087 0.7437 0.5
Leishmania major hypothetical protein, unknown function 0.0087 0.7437 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0048 0.3214 0.4299
Toxoplasma gondii transporter, cation channel family protein 0.0087 0.7437 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Schistosoma mansoni transient receptor potential channel 0.0091 0.7831 1
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0087 0.7437 0.7437
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0057 0.4168 0.5576
Mycobacterium ulcerans fatty acid synthase Fas 0.0018 0.0042 0.0056
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Brugia malayi ion channel NompC 0.0087 0.7437 0.7437
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0087 0.7437 0.8431
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0062 0.4752 0.6357
Toxoplasma gondii type I fatty acid synthase, putative 0.0042 0.2547 0.21
Loa Loa (eye worm) ion channel NompC 0.0087 0.7437 0.8431
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0059 0.4361 0.581
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0062 0.4752 0.6357
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0038 0.2149 0.1458
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0055 0.3948 0.528
Echinococcus granulosus transient receptor potential cation channel 0.0091 0.7831 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Loa Loa (eye worm) hypothetical protein 0.0091 0.7831 0.8943
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0087 0.7437 0.8431
Schistosoma mansoni transient receptor potential channel 0.0087 0.7437 0.0001
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0087 0.7437 0.7437
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0087 0.7437 0.7437
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0087 0.7437 0.5
Mycobacterium ulcerans polyketide synthase Pks13 0.0087 0.7476 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0087 0.7437 1
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0087 0.7437 0.5
Echinococcus granulosus transient receptor potential cation channel 0.0087 0.7437 0.0001
Brugia malayi olfactory channel protein osm-9 0.0091 0.7831 0.7831
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0059 0.4361 0.5834
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0049 0.3311 0.4398
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0059 0.4361 0.4361
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0047 0.3131 0.4155
Onchocerca volvulus 0.0087 0.7437 0.6382
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0087 0.7437 0.7437
Toxoplasma gondii hypothetical protein 0.0087 0.7437 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.002 0.0229 0.0306
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0087 0.7437 0.7437
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0087 0.7437 0.6382
Toxoplasma gondii transporter, cation channel family protein 0.0087 0.7437 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0049 0.3311 0.443
Mycobacterium leprae Probable polyketide synthase Pks1 0.0062 0.4752 0.6337
Brugia malayi hypothetical protein 0.0087 0.7437 0.7437
Loa Loa (eye worm) voltage-dependent calcium channel 0.0087 0.7437 0.8431
Toxoplasma gondii hypothetical protein 0.0087 0.7437 1
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0087 0.7437 0.7437
Mycobacterium leprae Polyketide synthase Pks13 0.0087 0.7476 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0087 0.7437 0.8431
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0087 0.7437 0.7437
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0062 0.4752 0.6357
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0087 0.7437 0.7437
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0062 0.4752 0.6337
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Mycobacterium ulcerans thioesterase TesA 0.0049 0.3311 0.443
Toxoplasma gondii type I fatty acid synthase, putative 0.0062 0.4752 0.5663
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0018 0.0042 0.0056
Leishmania major hypothetical protein, conserved 0.0087 0.7437 0.5
Loa Loa (eye worm) voltage-gated potassium channel 0.0087 0.7437 0.8431
Brugia malayi Transient-receptor-potential like protein 0.0087 0.7437 0.7437
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0087 0.7437 0.7437
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0057 0.4168 0.5576
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0033 0.1644 0.2199
Mycobacterium ulcerans Type I modular polyketide synthase 0.0059 0.4361 0.5834
Loa Loa (eye worm) hypothetical protein 0.0033 0.1592 0.0823
Brugia malayi Cyclic-nucleotide gated cation channel 0.0087 0.7437 0.7437
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0059 0.4361 0.581
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0047 0.3131 0.4188
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0087 0.7437 0.5
Loa Loa (eye worm) calcium channel 0.0087 0.7437 0.8431
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0059 0.4361 0.5834
Brugia malayi cation channel family protein 0.0087 0.7437 0.7437
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0042 0.2588 0.3461
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0039 0.2228 0.2981
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0087 0.7437 0.7437
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0039 0.2228 0.2941
Mycobacterium ulcerans polyketide synthase Pks9 0.0039 0.2228 0.2981
Schistosoma mansoni transient receptor potential channel 0.0087 0.7437 0.0001
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0024 0.061 0.0817
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0087 0.7437 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Echinococcus granulosus short transient receptor potential channel 6 0.0091 0.7831 0.9999
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0062 0.4752 0.6357
Echinococcus granulosus transient receptor potential cation channel 0.0087 0.7437 0.0001
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0087 0.7476 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.8643 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0087 0.7437 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0047 0.3131 0.4188
Loa Loa (eye worm) ryanodine receptor 0.0087 0.7437 0.8431
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0087 0.7437 0.7437
Loa Loa (eye worm) voltage-gated calcium channel 0.0087 0.7437 0.8431
Brugia malayi AMP-binding enzyme family protein 0.0055 0.3948 0.3948
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0055 0.3948 0.3889
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0087 0.7437 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0059 0.4361 0.5834
Loa Loa (eye worm) voltage-gated potassium channel 0.0087 0.7437 0.8431
Mycobacterium ulcerans Type I modular polyketide synthase 0.0059 0.4361 0.5834
Brugia malayi voltage-dependent calcium channel 0.0087 0.7437 0.7437
Onchocerca volvulus 0.0102 0.9025 0.9285
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Mycobacterium ulcerans polyketide synthase 0.0059 0.4361 0.5834
Echinococcus multilocularis short transient receptor potential channel 6 0.0091 0.7831 0.9999
Loa Loa (eye worm) hypothetical protein 0.0087 0.7437 0.8431
Toxoplasma gondii transporter, cation channel family protein 0.0087 0.7437 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0087 0.7437 0.7437
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0062 0.4752 0.6337
Echinococcus multilocularis transient receptor potential cation channel 0.0091 0.7831 1
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0087 0.7437 0.7437
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0087 0.7437 0.7437
Mycobacterium ulcerans Type I modular polyketide synthase 0.0059 0.4361 0.5834

Activities

Activity type Activity value Assay description Source Reference
AbsAC40 (functional) > 15 uM PubChem BioAssay. HTS for the detection of C. neoformans cell lysis via adenylate kinase (AK) release Measured in Microorganism System Using Plate Reader - 2162-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) 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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