Detailed information for compound 1603729

Basic information

Technical information
  • TDR Targets ID: 1603729
  • Name: 2-amino-5-phenyl-1-prop-2-enylpyrrole-3,4-dic arbonitrile
  • MW: 248.283 | Formula: C15H12N4
  • H donors: 1 H acceptors: 2 LogP: 2.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(c2ccccc2)c(c(c1N)C#N)C#N
  • InChi: 1S/C15H12N4/c1-2-8-19-14(11-6-4-3-5-7-11)12(9-16)13(10-17)15(19)18/h2-7H,1,8,18H2
  • InChiKey: LYIQUPXTNPHHFY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-allyl-2-amino-5-phenyl-pyrrole-3,4-dicarbonitrile
  • 1-allyl-2-amino-5-phenylpyrrole-3,4-dicarbonitrile
  • 2-amino-5-phenyl-1-prop-2-enyl-pyrrole-3,4-dicarbonitrile
  • NCI60_029250
  • 1-Allyl-2-amino-5-phenyl-1H-pyrrole-3,4-dicarbonitrile
  • AIDS-148781
  • AIDS148781
  • NSC681765

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
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0023 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Schistosoma mansoni lamin 0.0031 0.0014 0.0014
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0498 0.0342 0.0342
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0008 0.0008
Schistosoma mansoni intermediate filament proteins 0.0031 0.0014 0.0014
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0498 0.0342 0.0541
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.5417 0.3804 0.3799
Loa Loa (eye worm) hypothetical protein 0.0498 0.0342 0.0355
Brugia malayi Carboxyl transferase domain containing protein 1.3723 0.9649 1
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0498 0.0342 0.0463
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.5417 0.3804 0.3799
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.5417 0.3804 0.6143
Leishmania major acetyl-CoA carboxylase, putative 1.4221 1 1
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0498 0.0342 0.0342
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.5417 0.3804 0.3804
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.1927 0.1348 0.2905
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0498 0.0342 0.0335
Loa Loa (eye worm) hypothetical protein 0.0031 0.0014 0.0014
Entamoeba histolytica acetyl-coA carboxylase, putative 0.2425 0.1699 1
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0498 0.0342 0.0463
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0498 0.0342 0.0335
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0498 0.0342 0.0541
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0498 0.0342 0.0335
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0032 0.0033
Loa Loa (eye worm) RecQ helicase 0.0023 0.0008 0.0008
Echinococcus multilocularis lamin dm0 0.0031 0.0014 0.0014
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.1927 0.1348 0.3233
Schistosoma mansoni hypothetical protein 0.0018 0.0005 0.0005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0005 0.0005
Echinococcus multilocularis Biotin lipoyl attachment 0.0498 0.0342 0.0342
Onchocerca volvulus Huntingtin homolog 0.0141 0.0091 1
Echinococcus granulosus intermediate filament protein 0.0031 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0039 0.0019 0.0019
Plasmodium falciparum carbamoyl phosphate synthetase 0.1224 0.0853 0.117
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.1927 0.1348 0.2905
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0498 0.0342 0.0541
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0498 0.0342 0.0541
Loa Loa (eye worm) hypothetical protein 0.0498 0.0342 0.0355
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.1224 0.0853 0.1368
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.5417 0.3804 1
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0498 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.0141 0.0091 0.0095
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0498 0.0342 0.0335
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.1927 0.1348 0.2905
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0498 0.0342 0.0342
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.5417 0.3804 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0018 0.0005 0.0005
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.1927 0.1348 0.1348
Echinococcus granulosus lamin dm0 0.0031 0.0014 0.0014
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0498 0.0342 0.0342
Echinococcus granulosus bloom syndrome protein 0.0023 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0031 0.0013 0.0014
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.1927 0.1348 0.2905
Onchocerca volvulus Huntingtin homolog 0.0141 0.0091 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0023 0.0008 0.0008
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 1.0291 0.7234 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0023 0.0008 0.0008
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0014 0.0014
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0008 0.5
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.1927 0.1348 0.2905
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0498 0.0342 0.0342
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0004 0.0004
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0008 0.0008
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.1224 0.0853 0.0846
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0023 0.0008 0.0008
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0498 0.0342 0.0342
Trypanosoma brucei unspecified product 0.3561 0.2498 0.2492
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0498 0.0342 0.0355
Echinococcus granulosus lamin 0.0031 0.0014 0.0014
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.5417 0.3804 1
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0498 0.0342 0.0335
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.1927 0.1348 0.2905
Loa Loa (eye worm) hypothetical protein 0.0039 0.0019 0.002
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.1927 0.1348 0.2905
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0498 0.0342 0.0335
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0498 0.0342 0.0355
Echinococcus granulosus Biotin lipoyl attachment 0.0498 0.0342 0.0342
Schistosoma mansoni lamin 0.0031 0.0014 0.0014
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0002 0.0002
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.5417 0.3804 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0023 0.0008 0.0008
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.5417 0.3804 0.3804
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0004 0.0004
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 1.0291 0.7234 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0005 0.0005
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0498 0.0342 0.0342
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.1927 0.1348 0.1348
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.1927 0.1348 0.1341
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.1224 0.0853 0.0742
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0005 0.0005
Echinococcus multilocularis musashi 0.0031 0.0014 0.0014
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.1224 0.0853 0.1476
Schistosoma mansoni carbamoyl-phosphate synthetase 0.1224 0.0853 0.0853
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0498 0.0342 0.0463
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0008 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0008 0.5
Chlamydia trachomatis biotin carboxylase 0.4919 0.3453 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 1.4221 1 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.1224 0.0853 0.0853
Brugia malayi hypothetical protein 0.0141 0.0091 0.0095
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0498 0.0342 0.0335
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.1927 0.1348 0.1348
Echinococcus multilocularis lamin 0.0031 0.0014 0.0014
Echinococcus granulosus GPCR family 2 0.0018 0.0005 0.0005
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.1927 0.1348 0.2905
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.5417 0.3804 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0498 0.0342 0.0335
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0005 0.0005
Leishmania major propionyl-coa carboxylase beta chain, putative 0.1927 0.1348 0.1341
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0002 0.0002
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.1224 0.0853 0.1368
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.5417 0.3804 0.3799
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.1927 0.1348 0.2905
Toxoplasma gondii acetyl-coA carboxylase ACC2 1.4221 1 1
Schistosoma mansoni acetyl-CoA carboxylase 1.4221 1 1
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0498 0.0342 0.0335
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.1927 0.1348 0.2905
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0032 0.0033
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0002
Trypanosoma brucei acetyl-CoA carboxylase 1.4221 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0023 0.0008 0.0000000000073371
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.5417 0.3804 0.6143
Schistosoma mansoni DNA helicase recq1 0.0023 0.0008 0.0008
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.1927 0.1348 0.2905
Loa Loa (eye worm) hypothetical protein 0.0023 0.0008 0.0008
Onchocerca volvulus 0.0031 0.0014 0.15
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.1927 0.1348 0.2168
Echinococcus multilocularis GPCR, family 2 0.0018 0.0005 0.0005
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.1224 0.0853 0.1476
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0498 0.0342 0.0335
Loa Loa (eye worm) hypothetical protein 0.0141 0.0091 0.0095
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.5417 0.3804 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0002
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1927 0.1348 0.1341
Brugia malayi intermediate filament protein 0.0031 0.0014 0.0014
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0498 0.0342 0.0541
Leishmania major carbamoyl-phosphate synthase, putative 0.1224 0.0853 0.0846
Schistosoma mansoni hypothetical protein 0.0018 0.0005 0.0005
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.2425 0.1699 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.8804 0.6188 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.5417 0.3804 0.3804
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0019 0.002
Toxoplasma gondii acetyl-CoA carboxylase ACC1 1.4221 1 1
Leishmania major carboxylase, putative 0.5417 0.3804 0.3799
Toxoplasma gondii pyruvate carboxylase 0.5417 0.3804 0.3799
Schistosoma mansoni hypothetical protein 0.0018 0.0005 0.0005
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0014 0.0014
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1927 0.1348 0.2168
Toxoplasma gondii carbamoylphosphate synthetase 0.1224 0.0853 0.0846
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0014 0.0014
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1927 0.1348 0.1341
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.1927 0.1348 0.2905
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0498 0.0342 0.0335
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1927 0.1348 0.2168
Mycobacterium ulcerans pyruvate carboxylase 0.5417 0.3804 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0032 0.0033
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0032 0.0033
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0005 0.0005
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0498 0.0342 0.0335
Onchocerca volvulus 0.0031 0.0014 0.15
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.5417 0.3804 1
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0498 0.0342 0.0541
Schistosoma mansoni pyruvate carboxylase 0.5417 0.3804 0.3804
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0498 0.0342 0.0335
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0008 0.0008
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0498 0.0342 0.0541
Treponema pallidum pyruvate carboxylase subunit B 0.0498 0.0342 0.5
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0498 0.0342 0.0355
Schistosoma mansoni aspartate carbamoyltransferase 0.1224 0.0853 0.0853
Loa Loa (eye worm) carboxyl transferase domain-containing protein 1.3723 0.9649 1
Schistosoma mansoni DNA helicase recq5 0.0023 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0498 0.0342 0.0355
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0005 0.0005
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.5417 0.3804 0.3804
Schistosoma mansoni hypothetical protein 0.0018 0.0005 0.0005

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.