Detailed information for compound 165881

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 608.126 | Formula: C36H34ClN3O4
  • H donors: 2 H acceptors: 4 LogP: 6 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Oc1ccc(cc1)C[C@H](C(=O)N1CC/C(=C/2\c3ccc(cc3CCc3c2nccc3)Cl)/CC1)NC(=O)OCc1ccccc1
  • InChi: 1S/C36H34ClN3O4/c37-29-12-15-31-28(22-29)11-10-27-7-4-18-38-34(27)33(31)26-16-19-40(20-17-26)35(42)32(21-24-8-13-30(41)14-9-24)39-36(43)44-23-25-5-2-1-3-6-25/h1-9,12-15,18,22,32,41H,10-11,16-17,19-21,23H2,(H,39,43)/t32-/m1/s1
  • InChiKey: QDZGTJWEJGGEHS-JGCGQSQUSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyltransferase, CAAX box, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, alpha [EC:2.5.1.58 2.5.1.59], putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium berghei protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
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 leprae conserved hypothetical protein 0.0071 0.107 0.3528
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.107 0.1074
Echinococcus granulosus vesicular acetylcholine transporter 0.0443 0.9794 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0443 0.9794 1
Loa Loa (eye worm) hypothetical protein 0.0294 0.6311 0.6444
Echinococcus granulosus peregrin 0.0029 0.009 0.0091
Loa Loa (eye worm) hypothetical protein 0.0147 0.287 0.293
Brugia malayi beta-lactamase 0.0071 0.107 0.1093
Loa Loa (eye worm) hypothetical protein 0.0147 0.287 0.293
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0585 0.0434
Loa Loa (eye worm) hypothetical protein 0.0147 0.287 0.293
Giardia lamblia Rab geranylgeranyltransferase 0.005 0.0585 0.0812
Schistosoma mansoni sodium/chloride dependent transporter 0.0147 0.287 0.293
Brugia malayi jmjC domain containing protein 0.0035 0.0232 0.0237
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.2725 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.6194 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.3933 1
Schistosoma mansoni jumonji domain containing protein 0.0075 0.1173 0.1198
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.107 0.0918
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.6194 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.009 0.0091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0474 0.0484
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.107 0.1074
Brugia malayi beta-lactamase family protein 0.0071 0.107 0.1093
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.3933 0.4016
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.005 0.0585 0.1487
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.107 0.1093
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.107 0.0918
Mycobacterium ulcerans lipase LipD 0.0071 0.107 0.3297
Giardia lamblia Fructose-bisphosphate aldolase 0.0289 0.6194 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.107 0.0918
Brugia malayi Inositol-1 0.0036 0.0256 0.0262
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0232 0.0237
Echinococcus multilocularis vesicular acetylcholine transporter 0.0443 0.9794 1
Mycobacterium ulcerans beta-lactamase 0.0071 0.107 0.3297
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.107 0.0918
Schistosoma mansoni hypothetical protein 0.0029 0.009 0.0091
Onchocerca volvulus 0.0071 0.107 0.1093
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0256 0.5
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0354 0.0362
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0474 0.0484
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0359 0.7836 0.8001
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.005 0.0585 0.0554
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.107 0.0918
Brugia malayi hypothetical protein 0.0294 0.6311 0.6444
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.005 0.0585 0.0597
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0147 0.287 0.293
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0232 0.0237
Loa Loa (eye worm) inositol-1 0.0036 0.0256 0.0262
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.107 0.1093
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.3933 0.6193
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.2761 0.4219
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.005 0.0585 0.1487
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.1628 0.1663
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0256 0.0262
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.3933 0.4016
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.107 0.1093
Loa Loa (eye worm) hypothetical protein 0.0359 0.7836 0.8001
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0256 0.0262
Echinococcus granulosus serotonin transporter 0.0147 0.287 0.293
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.005 0.0585 0.0597
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0474 0.0484
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.107 0.1074
Loa Loa (eye worm) hypothetical protein 0.0071 0.107 0.1093
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.107 0.1093
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.3933 0.6193
Echinococcus granulosus jumonji domain containing protein 0.004 0.0354 0.0362
Loa Loa (eye worm) hypothetical protein 0.0029 0.009 0.0091
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.009 0.0324
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.107 0.1371
Mycobacterium tuberculosis Conserved protein 0.0071 0.107 0.0918
Loa Loa (eye worm) hypothetical protein 0.0071 0.107 0.1093
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.107 0.1093
Onchocerca volvulus Alhambra homolog 0.0029 0.009 0.0091
Onchocerca volvulus 0.0071 0.107 0.1093
Loa Loa (eye worm) hypothetical protein 0.0049 0.0573 0.0585
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.005 0.0585 0.0597
Loa Loa (eye worm) hypothetical protein 0.0071 0.107 0.1093
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0232 0.0237
Leishmania major hypothetical protein, conserved 0.0071 0.107 0.1074
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.6194 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.005 0.0585 0.0434
Onchocerca volvulus 0.0071 0.107 0.1093
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.107 0.1093
Loa Loa (eye worm) hypothetical protein 0.0071 0.107 0.1093
Brugia malayi PHD-finger family protein 0.0029 0.009 0.0091
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.005 0.0585 0.0597
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0585 0.0434
Toxoplasma gondii hypothetical protein 0.005 0.0585 0.2119
Mycobacterium leprae Probable lipase LipE 0.0071 0.107 0.3528
Echinococcus multilocularis peregrin 0.0029 0.009 0.0091
Loa Loa (eye worm) hypothetical protein 0.0071 0.107 0.1093
Loa Loa (eye worm) norepinephrine transporter 0.0147 0.287 0.293
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0474 0.0484
Mycobacterium ulcerans hypothetical protein 0.0071 0.107 0.3297
Brugia malayi jmjC domain containing protein 0.0095 0.1628 0.1663
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.081 0.0827
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.0585 0.0434
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.009 0.0091
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.6194 1
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.005 0.0585 0.0597
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.3933 0.4016
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.107 0.1371
Brugia malayi Bromodomain containing protein 0.0029 0.009 0.0091
Onchocerca volvulus 0.0294 0.6311 0.6444
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.6194 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.107 0.3297
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.3933 0.6193
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0585 0.0434
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0474 0.0484
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.009 0.0091
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0474 0.0484
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.6194 1
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.005 0.0585 0.0597
Loa Loa (eye worm) beta-lactamase 0.0071 0.107 0.1093
Mycobacterium tuberculosis Conserved protein 0.0071 0.107 0.0918
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.107 0.1371
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2138 0.2183
Trypanosoma brucei hypothetical protein, conserved 0.005 0.0585 0.0434
Plasmodium falciparum phd finger protein, putative 0.0029 0.009 0.0228
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0443 0.9794 1
Trichomonas vaginalis esterase, putative 0.0071 0.107 0.1371
Brugia malayi vesicular acetylcholine transporter unc-17 0.0443 0.9794 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.3933 0.4016
Mycobacterium tuberculosis Conserved protein 0.0071 0.107 0.0918
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.009 0.0324
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0256 0.0928
Onchocerca volvulus 0.005 0.0585 0.0597
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.3933 0.6297
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.107 0.1371
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.3933 1
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.107 0.0918
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0585 0.0434
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0147 0.287 0.293
Echinococcus granulosus protein prenyltransferase alpha subunit 0.005 0.0585 0.0597
Plasmodium vivax hypothetical protein, conserved 0.0029 0.009 0.0228
Echinococcus multilocularis serotonin transporter 0.0147 0.287 0.293
Plasmodium vivax hypothetical protein, conserved 0.0071 0.107 0.2721
Schistosoma mansoni vesicular acetylcholine transporter 0.0443 0.9794 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0359 0.7836 1
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.107 0.0918
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.3933 0.4016
Schistosoma mansoni inositol monophosphatase 0.0036 0.0256 0.0262
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.005 0.0585 0.0434
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.0585 0.0434
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2138 0.2183
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0232 0.0237
Schistosoma mansoni inositol monophosphatase 0.0036 0.0256 0.0262
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.2725 0.2601
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0232 0.0237
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.107 0.1371
Trypanosoma brucei C-8 sterol isomerase, putative 0.0359 0.7836 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.2725 1
Toxoplasma gondii hypothetical protein 0.0143 0.2761 1
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0585 0.0434
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.3933 0.4016
Onchocerca volvulus 0.0147 0.287 0.293
Toxoplasma gondii ABC1 family protein 0.0071 0.107 0.3876
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0474 0.0484
Loa Loa (eye worm) hypothetical protein 0.0071 0.107 0.1093
Leishmania major C-8 sterol isomerase-like protein 0.0359 0.7836 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0147 0.287 0.293
Loa Loa (eye worm) serotonin transporter b 0.0147 0.287 0.293
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.009 0.0091
Loa Loa (eye worm) hypothetical protein 0.0184 0.3718 0.3797
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0474 0.0484
Brugia malayi MH2 domain containing protein 0.0116 0.2138 0.2183
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.107 0.3297
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.3933 0.6193
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.6194 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.6194 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0474 0.0484
Brugia malayi beta-lactamase family protein 0.0071 0.107 0.1093
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.6194 1
Treponema pallidum fructose-bisphosphate aldolase 0.0289 0.6194 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.6194 1
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.005 0.0585 0.0554
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.1628 0.1663
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0025 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.2 uM Inhibitory activity against protein farnesyltransferase. ChEMBL. No reference
IC50 (binding) = 1.2 uM Inhibitory activity against protein farnesyltransferase. 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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