Detailed information for compound 1011693

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 493.659 | Formula: C29H40FN5O
  • H donors: 2 H acceptors: 1 LogP: 4.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1CN(C[C@@H](N1)C)Cc1ccc(cc1)N1CCCC1C(=O)N1CCC(CC1)Nc1cccc(c1)F
  • InChi: 1S/C29H40FN5O/c1-21-18-33(19-22(2)31-21)20-23-8-10-27(11-9-23)35-14-4-7-28(35)29(36)34-15-12-25(13-16-34)32-26-6-3-5-24(30)17-26/h3,5-6,8-11,17,21-22,25,28,31-32H,4,7,12-16,18-20H2,1-2H3/t21-,22+,28?
  • InChiKey: HAVGWTMIBHZYEA-UXCHGGSFSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens motilin receptor Starlite/ChEMBL References

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 ulcerans aldehyde dehydrogenase 0.0059 0.084 0.0479
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0046 0.0614 0.7307
Onchocerca volvulus 0.0016 0.0072 0.0853
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0124 0.1471
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0894 1
Leishmania major hypothetical protein, conserved 0.0016 0.0071 0.0794
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0046 0.0614 0.6594
Schistosoma mansoni hypothetical protein 0.0035 0.0416 0.4477
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.084 1
Schistosoma mansoni single-minded 0.0047 0.0629 0.7255
Schistosoma mansoni polycystin 1-related 0.0019 0.0124 0.0676
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0072 0.0853
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0055 0.0782 0.0418
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0072 0.1168
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0046 0.0614 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0033 0.038 0.4009
Schistosoma mansoni lipoxygenase 0.0019 0.0124 0.0676
Mycobacterium tuberculosis Probable methyltransferase 0.0059 0.084 0.0538
Entamoeba histolytica hypothetical protein 0.0035 0.0416 0.6349
Toxoplasma gondii cathepsin CPL 0.0016 0.0072 0.0009
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0033 0.038 0.4522
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0072 0.0853
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.047
Leishmania major cathepsin L-like protease 0.0062 0.0894 1
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0408 0.003
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0072 0.1168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Chlamydia trachomatis methionine aminopeptidase 0.0033 0.038 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0055 0.0782 0.8743
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Loa Loa (eye worm) cysteine protease 0.0016 0.0072 0.0272
Onchocerca volvulus 0.0016 0.0072 0.0853
Schistosoma mansoni rab6-interacting 0.0019 0.0124 0.0676
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0049 0.0672 0.7994
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0072 0.1168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0072 0.0272
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0408 0.4859
Brugia malayi Doublecortin family protein 0.0019 0.0124 0.0203
Schistosoma mansoni lipoxygenase 0.0053 0.0744 0.8746
Echinococcus granulosus methionyl aminopeptidase 2 0.0046 0.0614 0.7303
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0046 0.0614 0.7055
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0894 1
Leishmania major cathepsin L-like protease 0.0016 0.0072 0.0802
Loa Loa (eye worm) initiation factor 2-associated protein 0.0046 0.0614 0.2332
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Echinococcus multilocularis RUN 0.0019 0.0124 0.1471
Plasmodium vivax methionine aminopeptidase 2, putative 0.0046 0.0614 0.9034
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0046 0.0614 1
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0894 1
Schistosoma mansoni o-methyltransferase 0.0059 0.084 0.9995
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Brugia malayi hypothetical protein 0.0035 0.0416 0.1344
Brugia malayi O-methyltransferase family protein 0.0059 0.084 0.3001
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0072 0.0853
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.084 0.0538
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0072 0.0272
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Entamoeba histolytica hypothetical protein 0.0035 0.0416 0.6349
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0416 0.4948
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0056 0.0797 0.8918
Echinococcus granulosus RUN 0.0019 0.0124 0.1471
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0894 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0049 0.0672 0.7994
Leishmania major cathepsin L-like protease 0.0016 0.0072 0.0802
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0055 0.0782 0.0418
Schistosoma mansoni loxhd1 0.0019 0.0124 0.0676
Trypanosoma cruzi major cysteine proteinase, putative 0.0048 0.0655 0.7331
Schistosoma mansoni hypothetical protein 0.0019 0.0124 0.0676
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0416 0.4948
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0072 0.1168
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0124 0.1471
Onchocerca volvulus 0.0019 0.0124 0.1472
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0049 0.0672 0.7513
Brugia malayi O-methyltransferase family protein 0.0059 0.084 0.3001
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.0072 0.0012
Leishmania major cathepsin L-like protease 0.0016 0.0072 0.0802
Leishmania major methionine aminopeptidase 2, putative 0.0046 0.0614 0.6864
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.0072 0.0012
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0046 0.0614 0.6864
Echinococcus multilocularis cysteine protease 0.0016 0.0072 0.0853
Onchocerca volvulus 0.0035 0.0408 0.4861
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0046 0.0614 0.7052
Brugia malayi hypothetical protein 0.0019 0.0124 0.0203
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.084 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0049 0.0672 0.7299
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0072 0.0853
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0055 0.0782 0.9302
Loa Loa (eye worm) methionine aminopeptidase type I 0.0049 0.0672 0.2553
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.084 0.0479
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0124 0.1471
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0408 0.1315
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0059 0.084 1
Leishmania major cathepsin L-like protease 0.0016 0.0072 0.0802
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0046 0.0614 1
Plasmodium vivax vivapain-2 0.0016 0.0072 0.0012
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0055 0.0782 0.9237
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0124 0.0877
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Entamoeba histolytica hypothetical protein 0.0035 0.0416 0.6349
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Loa Loa (eye worm) fibroinase 0.0016 0.0072 0.0272
Plasmodium falciparum methionine aminopeptidase 2 0.0046 0.0614 0.9034
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0055 0.0782 0.047
Toxoplasma gondii methionine aminopeptidase 0.0049 0.0672 0.7809
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0053 0.0744 0.8853
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0072 0.1168
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0049 0.0672 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0033 0.038 0.4014
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0124 0.1471
Onchocerca volvulus 0.0016 0.0072 0.0853
Onchocerca volvulus 0.0016 0.0072 0.0853
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0124 0.0877
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0124 0.1471
Onchocerca volvulus 0.0059 0.084 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Brugia malayi hypothetical protein 0.0019 0.0124 0.0203
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Brugia malayi O-methyltransferase family protein 0.0059 0.084 0.3001
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0049 0.0672 0.7513
Plasmodium vivax vivapain-2 0.0016 0.0072 0.0012
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.0506 0.8939 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0055 0.0782 0.9302
Onchocerca volvulus 0.0016 0.0072 0.0853
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.084 0.9399
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0072 0.0853
Leishmania major cathepsin L-like protease 0.0062 0.0894 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0049 0.0672 0.7299
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.084 0.0479
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0049 0.0672 1
Brugia malayi Methionine aminopeptidase protein type I 0.0049 0.0672 0.2344
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0072 0.1168
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0072 0.1168
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0046 0.0614 0.6594
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.084 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0046 0.0614 1
Leishmania major cysteine peptidase A (CPA) 0.0016 0.0072 0.0802
Treponema pallidum methionine aminopeptidase (map) 0.0033 0.038 0.5
Onchocerca volvulus 0.0059 0.084 1
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0033 0.038 0.5141
Loa Loa (eye worm) hypothetical protein 0.0059 0.084 0.3192
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0033 0.038 0.4522
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0416 0.4477
Loa Loa (eye worm) ctsf protein 0.0016 0.0072 0.0272
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0124 0.047
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0033 0.038 0.452
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0072 0.0853
Trypanosoma brucei methionine aminopeptidase, putative 0.0049 0.0672 0.7299
Brugia malayi PAS domain containing protein 0.0047 0.0629 0.2178
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.0072 0.0012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Echinococcus granulosus single minded 2 0.0035 0.0408 0.4859
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0033 0.038 0.4009
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.047
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0033 0.038 0.5141
Echinococcus multilocularis cysteine protease 0.0016 0.0072 0.0853
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0072 0.0853
Onchocerca volvulus Cathepsin F homolog 0.0016 0.0072 0.0853
Loa Loa (eye worm) hypoxia-induced factor 1 0.0145 0.241 0.916
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0714 0.2714
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.2631 1
Schistosoma mansoni o-methyltransferase 0.0059 0.084 0.9995
Brugia malayi hypothetical protein 0.0158 0.2631 1
Brugia malayi initiation factor 2-associated protein. 0.0046 0.0614 0.2117
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.084 1
Mycobacterium ulcerans methyltransferase 0.0059 0.084 0.0478
Schistosoma mansoni o-methyltransferase 0.0059 0.084 0.9995
Leishmania major cathepsin L-like protease 0.0016 0.0072 0.0802
Entamoeba histolytica methionine aminopeptidase, putative 0.0046 0.0614 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0053 0.0744 0.8853
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0071 0.0794
Entamoeba histolytica hypothetical protein 0.0035 0.0416 0.6349
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0049 0.0672 0.7513
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0072 0.1168
Giardia lamblia Methionine aminopeptidase 0.0046 0.0614 0.5
Brugia malayi O-methyltransferase 0.0059 0.084 0.3001
Brugia malayi hypoxia-induced factor 1 0.0145 0.241 0.9137
Schistosoma mansoni o-methyltransferase 0.0059 0.084 0.9995
Onchocerca volvulus 0.0016 0.0072 0.0853
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Leishmania major cathepsin L-like protease 0.0062 0.0894 1
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0059 0.084 1
Schistosoma mansoni rab6-interacting 0.0019 0.0124 0.0676
Loa Loa (eye worm) hypothetical protein 0.0016 0.0072 0.0272
Loa Loa (eye worm) O-methyltransferase 0.0059 0.084 0.3192
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0629 0.7255
Onchocerca volvulus 0.0019 0.0124 0.1472
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0072 0.0802
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0046 0.0614 0.6864
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0894 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0072 0.1168
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0071 0.0794
Toxoplasma gondii methionine aminopeptidase 0.0033 0.038 0.4014
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0124 0.1471
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0072 0.1168
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0072 0.1168
Echinococcus granulosus cathepsin l1 0.0016 0.0072 0.0853
Echinococcus multilocularis methionyl aminopeptidase 2 0.0046 0.0614 0.7303
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0072 0.1168
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.084 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.0782 0.2774
Onchocerca volvulus 0.0016 0.0072 0.0853
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0072 0.0853

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 5.6 Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay ChEMBL. 19006669

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.