Detailed information for compound 149007

Basic information

Technical information
  • TDR Targets ID: 149007
  • Name: 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phen yl]methyl]amino]pyridine-3-carbonitrile
  • MW: 409.486 | Formula: C24H23N7
  • H donors: 1 H acceptors: 5 LogP: 4.61 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(c1ncccc1C#N)Cc1ccc(cc1)c1ccccc1c1n[nH]nn1
  • InChi: 1S/C24H23N7/c1-2-3-15-31(24-20(16-25)7-6-14-26-24)17-18-10-12-19(13-11-18)21-8-4-5-9-22(21)23-27-29-30-28-23/h4-14H,2-3,15,17H2,1H3,(H,27,28,29,30)
  • InChiKey: OXPVMMYCWJTHHX-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinecarbonitrile
  • 2-[butyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carbonitrile
  • 2-[butyl-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]amino]nicotinonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens angiotensin II receptor, type 2 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyroglutamylated rfamide peptide receptor angiotensin II receptor, type 2 363 aa 398 aa 18.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus calpain A 0.0123 0.2769 0.1226
Onchocerca volvulus 0.0178 0.4533 0.6996
Schistosoma mansoni calpain (C02 family) 0.0123 0.2769 0.2773
Plasmodium falciparum cysteine proteinase falcipain 1 0.0092 0.1758 0.3878
Brugia malayi Cathepsin L-like precursor 0.0119 0.2641 0.2839
Loa Loa (eye worm) hypothetical protein 0.0119 0.2641 0.2839
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0123 0.2769 0.6107
Echinococcus granulosus calpain 0.0123 0.2769 0.1226
Leishmania major cathepsin L-like protease 0.0178 0.4533 1
Leishmania major cathepsin L-like protease 0.0178 0.4533 1
Trypanosoma cruzi cysteine peptidase, putative 0.0178 0.4533 1
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.1758 0.3878
Echinococcus granulosus calpain 7 C02 family 0.0123 0.2769 0.1226
Entamoeba histolytica cysteine proteinase, putative 0.0178 0.4533 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0178 0.4533 0.3367
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Onchocerca volvulus 0.0178 0.4533 0.6996
Trypanosoma cruzi cysteine peptidase, putative 0.0059 0.0702 0.1549
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0059 0.0702 0.0754
Brugia malayi cathepsin L-like precursor 0.0119 0.2641 0.2839
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0092 0.1758 0.3878
Schistosoma mansoni cathepsin F (C01 family) 0.0178 0.4533 0.454
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0702 0.0754
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0178 0.4533 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0123 0.2769 0.6107
Trypanosoma brucei calpain-like protein, putative 0.0123 0.2769 0.6107
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0178 0.4533 0.4872
Onchocerca volvulus 0.0178 0.4533 0.6996
Echinococcus multilocularis calpain family protein 1, d 0.024 0.6536 0.5797
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0123 0.2769 0.6107
Plasmodium vivax vivapain-2 0.0178 0.4533 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Brugia malayi Cathepsin L-like precursor 0.0178 0.4533 0.4872
Echinococcus multilocularis calpain A 0.0347 1 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.2641 0.2839
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0702 0.0754
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Trypanosoma brucei kinesin, putative 0.0086 0.1579 0.3482
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Loa Loa (eye worm) hypothetical protein 0.024 0.6536 0.7024
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Leishmania major kinesin, putative 0.0086 0.1579 0.3482
Onchocerca volvulus 0.0203 0.5346 1
Echinococcus multilocularis calpain 5 0.0123 0.2769 0.1226
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0123 0.2769 0.6107
Onchocerca volvulus 0.0178 0.4533 0.6996
Brugia malayi cathepsin F-like cysteine proteinase 0.0059 0.0702 0.0754
Loa Loa (eye worm) fibroinase 0.0178 0.4533 0.4872
Echinococcus multilocularis cysteine protease 0.0178 0.4533 0.3367
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0123 0.2769 0.6107
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.4533 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0178 0.4533 1
Plasmodium vivax calpain, putative 0.0123 0.2769 0.5394
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0347 0.9985 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Brugia malayi Cathepsin L-like precursor 0.0059 0.0702 0.0754
Entamoeba histolytica protein kinase, putative 0.0086 0.1579 0.3482
Plasmodium vivax vivapain-2 0.0178 0.4533 1
Loa Loa (eye worm) calpain family protein 1 0.024 0.6536 0.7024
Brugia malayi Cathepsin L-like precursor 0.0178 0.4533 0.4872
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0347 0.9985 0.9982
Entamoeba histolytica cysteine protease, putative 0.0178 0.4533 1
Trypanosoma brucei calpain-like protein, putative 0.0123 0.2769 0.6107
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.1758 0.3878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0178 0.4533 0.3367
Trypanosoma cruzi cruzipain precursor, putative 0.0178 0.4533 1
Leishmania major cathepsin L-like protease 0.0178 0.4533 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0123 0.2769 0.6107
Schistosoma mansoni calpain C (C02 family) 0.0123 0.2769 0.2773
Plasmodium vivax vivapain-1 0.0092 0.1758 0.2757
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Trypanosoma cruzi kinesin, putative 0.0086 0.1579 0.3482
Echinococcus multilocularis calpain 7 (C02 family) 0.0123 0.2769 0.1226
Trypanosoma cruzi cysteine proteinase, putative 0.0092 0.1758 0.3878
Onchocerca volvulus 0.0178 0.4533 0.6996
Trypanosoma cruzi cysteine peptidase, putative 0.0178 0.4533 1
Plasmodium vivax vivapain-3 0.0092 0.1758 0.2757
Echinococcus granulosus cathepsin l1 0.0119 0.2641 0.1071
Echinococcus granulosus cathepsin l cysteine peptidase 0.0178 0.4533 0.3367
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0123 0.2769 0.6107
Echinococcus multilocularis hypothetical protein 0.0123 0.2769 0.1226
Brugia malayi calpain 5 0.0086 0.1579 0.1697
Loa Loa (eye worm) calpain 0.0123 0.2769 0.2976
Trypanosoma cruzi cysteine protease, putative 0.0092 0.1758 0.3878
Schistosoma mansoni cathepsin F (C01 family) 0.0178 0.4533 0.454
Brugia malayi Cathepsin L-like precursor 0.0119 0.2641 0.2839
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0092 0.1758 0.3878
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0178 0.4533 1
Trypanosoma cruzi kinesin, putative 0.0086 0.1579 0.3482
Brugia malayi Cathepsin L-like precursor 0.0178 0.4533 0.4872
Schistosoma mansoni calpain-7 (C02 family) 0.0123 0.2769 0.2773
Leishmania major cathepsin L-like protease 0.0178 0.4533 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.4533 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0178 0.4533 0.3367
Entamoeba histolytica cysteine proteinase, putative 0.0119 0.2641 0.5826
Onchocerca volvulus 0.0178 0.4533 0.6996
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Brugia malayi calpain family protein 1 0.0326 0.9304 1
Loa Loa (eye worm) hypothetical protein 0.0289 0.8114 0.8721
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Entamoeba histolytica cysteine proteinase, putative 0.0178 0.4533 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.5346 0.5745
Echinococcus multilocularis cysteine protease 0.0178 0.4533 0.3367
Trypanosoma cruzi cruzipain precursor, putative 0.0059 0.0702 0.1549
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0178 0.4533 1
Schistosoma mansoni cathepsin F (C01 family) 0.0119 0.2641 0.2645
Loa Loa (eye worm) ctsf protein 0.0178 0.4533 0.4872
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Brugia malayi calpain 7 0.0123 0.2769 0.2976
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0123 0.2769 0.6107
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0119 0.2641 0.5826
Trypanosoma brucei calpain-like protein, putative 0.0123 0.2769 0.6107
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.4533 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0347 0.9985 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.4533 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0123 0.2769 0.6107
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0326 0.9304 0.9318
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Brugia malayi Papain family cysteine protease containing protein 0.0092 0.1758 0.189
Echinococcus multilocularis calpain 0.0123 0.2769 0.1226
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0347 0.9985 0.9982
Plasmodium vivax unspecified product 0.0092 0.1758 0.2757
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0123 0.2769 0.6107
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0123 0.2769 0.6107
Leishmania major cysteine peptidase A (CPA) 0.0178 0.4533 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.4533 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Brugia malayi Cathepsin L-like precursor 0.0178 0.4533 0.4872
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.4533 1
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0123 0.2769 0.6107
Toxoplasma gondii cathepsin CPL 0.0178 0.4533 1
Loa Loa (eye worm) hypothetical protein 0.0178 0.4533 0.4872
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0092 0.1758 0.3878
Loa Loa (eye worm) cysteine protease 0.0178 0.4533 0.4872
Loa Loa (eye worm) hypothetical protein 0.0119 0.2641 0.2839
Loa Loa (eye worm) hypothetical protein 0.0326 0.9304 1
Trypanosoma cruzi cysteine peptidase, putative 0.0178 0.4533 1
Leishmania major cathepsin L-like protease 0.0178 0.4533 1
Trypanosoma brucei calpain-like protein, putative 0.0123 0.2769 0.6107
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0123 0.2769 0.6107
Onchocerca volvulus Cathepsin L homolog 0.0178 0.4533 0.6996
Entamoeba histolytica cysteine proteinase 2 0.0092 0.1758 0.3878
Onchocerca volvulus 0.0178 0.4533 0.6996
Schistosoma mansoni calpain-7 (C02 family) 0.0123 0.2769 0.2773
Onchocerca volvulus Cathepsin L homolog 0.0178 0.4533 0.6996
Leishmania major cathepsin L-like protease 0.0178 0.4533 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0092 0.1758 0.1761
Trypanosoma brucei antigen, putative 0.0123 0.2769 0.6107
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0092 0.1758 0.1761
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.4533 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0119 0.2641 0.2839
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Brugia malayi calpain family protein 1 0.0326 0.9304 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0119 0.2641 0.5826
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Onchocerca volvulus Cathepsin F homolog 0.0178 0.4533 0.6996
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Echinococcus granulosus calpain 5 0.0123 0.2769 0.1226
Brugia malayi Papain family cysteine protease containing protein 0.0178 0.4533 0.4872
Echinococcus multilocularis cathepsin L cysteine protease 0.0178 0.4533 0.3367
Leishmania major cathepsin L-like protease 0.0178 0.4533 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0092 0.1758 0.3878
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Loa Loa (eye worm) calpain family protein 1 0.0326 0.9304 1
Echinococcus granulosus cathepsin l1 0.0178 0.4533 0.3367
Schistosoma mansoni Mername-AA248 (C02 family) 0.0123 0.2769 0.2773
Leishmania major cathepsin L-like protease 0.0178 0.4533 1
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.1758 0.3878
Loa Loa (eye worm) calpain 5 0.0086 0.1579 0.1697
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0059 0.0702 0.0754
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0092 0.1758 0.3878
Loa Loa (eye worm) hypothetical protein 0.0059 0.0702 0.0754
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0092 0.1758 0.3878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Trypanosoma cruzi cysteine peptidase, putative 0.0092 0.1758 0.3878
Entamoeba histolytica calpain large subunit domain III containing protein 0.0086 0.1579 0.3482
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.4533 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.4533 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0178 0.4533 0.3367
Trypanosoma cruzi cysteine proteinase, putative 0.0092 0.1758 0.3878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.4533 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0119 0.2641 0.5826
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0178 0.4533 0.4872
Brugia malayi Papain family cysteine protease containing protein 0.0092 0.1758 0.189
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.1758 0.3878
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.4533 1
Brugia malayi Cathepsin L-like precursor 0.0178 0.4533 0.4872
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0123 0.2769 0.6107
Schistosoma mansoni cathepsin s 0.0059 0.0702 0.0703
Brugia malayi Cathepsin L-like precursor 0.0178 0.4533 0.4872
Trypanosoma cruzi cysteine peptidase, putative 0.0178 0.4533 1
Entamoeba histolytica cysteine protease, putative 0.0092 0.1758 0.3878
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0178 0.4533 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0123 0.2769 0.6107
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0092 0.1758 0.1761

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 7.68 Potency of the compound to antagonize the ability of angiotensin II to contract rabbit aorta ChEMBL. 8410980
pA2 (binding) = 7.68 Potency of the compound to antagonize the ability of angiotensin II to contract rabbit aorta ChEMBL. 8410980

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.

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