Detailed information for compound 208280

Basic information

Technical information
  • TDR Targets ID: 208280
  • Name: 1-(cyclohexylmethyl)imidazole
  • MW: 164.247 | Formula: C10H16N2
  • H donors: 0 H acceptors: 1 LogP: 2.32 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCC(CC1)Cn1cncc1
  • InChi: 1S/C10H16N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h6-7,9-10H,1-5,8H2
  • InChiKey: KMPWYLDBCZNFAK-UHFFFAOYSA-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
Pseudomonas putida Cytochrome P450-cam Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily B, polypeptide 6 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome p450 150 cyp150 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 Get druggable targets OG5_132455 All targets in OG5_132455
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 Get druggable targets OG5_132455 All targets in OG5_132455
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium leprae putative cytochrome p450 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium tuberculosis Probable oxidoreductase Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 Get druggable targets OG5_132455 All targets in OG5_132455
Mycobacterium ulcerans oxidoreductase Get druggable targets OG5_132455 All targets in OG5_132455
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily B, polypeptide 6 491 aa 395 aa 19.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi STAT protein, DNA binding domain containing protein 0.0101 0.0038 0.0037
Onchocerca volvulus 0.0099 0.0037 0.0106
Echinococcus multilocularis growth factor receptor bound protein 2 0.0199 0.0115 0.15
Loa Loa (eye worm) p53BP2 0.0098 0.0036 0.0232
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0133 0.0063 0.0742
Brugia malayi SH2 domain containing protein 0.0101 0.0038 0.0037
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0101 0.0038 0.0194
Echinococcus multilocularis mitogen activated protein kinase 11 0.0372 0.0251 0.4093
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0372 0.0251 1
Echinococcus multilocularis SHC transforming protein 3 0.0101 0.0038 0.0037
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0101 0.0038 0.0037
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0182 0.0102 1
Brugia malayi Variant SH3 domain containing protein 0.0199 0.0115 0.15
Brugia malayi Furin-like cysteine rich region family protein 0.0471 0.0328 0.5564
Echinococcus granulosus suppressor of cytokine signaling 6 0.0101 0.0038 0.0037
Brugia malayi Protein kinase domain containing protein 0.0133 0.0063 0.0522
Echinococcus granulosus expressed conserved protein 0.0101 0.0038 0.0037
Schistosoma mansoni hypothetical protein 0.0101 0.0038 0.0002
Echinococcus granulosus epidermal growth factor receptor 0.0267 0.0168 0.2515
Echinococcus granulosus tyrosine protein kinase Fyn 0.0768 0.056 0.998
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0768 0.056 1
Echinococcus multilocularis ephrin type A receptor 4 A 0.0232 0.0141 0.2003
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0768 0.056 1
Schistosoma mansoni tyrosine kinase 0.0642 0.0462 0.0427
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Loa Loa (eye worm) TK protein kinase 0.067 0.0484 0.8571
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0199 0.0115 0.1697
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0101 0.0038 0.0037
Schistosoma mansoni tyrosine kinase 0.0471 0.0328 0.0293
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0372 0.0251 1
Loa Loa (eye worm) SH2 domain-containing protein 0.0101 0.0038 0.0268
Brugia malayi SH2 domain containing protein 0.0133 0.0063 0.0522
Schistosoma mansoni tyrosine kinase 0.0231 0.014 0.0104
Brugia malayi SH2 domain containing protein 0.0101 0.0038 0.0037
Schistosoma mansoni tyrosine kinase 0.0267 0.0168 0.0133
Schistosoma mansoni GTPase activating protein 0.0101 0.0038 0.0002
Onchocerca volvulus 0.0133 0.0063 0.2721
Schistosoma mansoni shc transforming protein 0.0101 0.0038 0.0002
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0182 0.0102 1
Schistosoma mansoni tensin-related 0.0101 0.0038 0.0002
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0182 0.0102 1
Echinococcus multilocularis snurportin 1 0.0372 0.025 0.4083
Onchocerca volvulus 0.0133 0.0063 0.2721
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0768 0.056 1
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.0036 0.5
Onchocerca volvulus 0.0133 0.0063 0.2721
Echinococcus granulosus N chimaerin 0.0101 0.0038 0.0037
Brugia malayi Sex muscle abnormal protein 5 0.0199 0.0115 0.15
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0768 0.056 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0182 0.0102 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0036 0.0232
Echinococcus granulosus tyrosine protein kinase csk 0.0126 0.0058 0.0419
Onchocerca volvulus 0.0101 0.0038 0.0194
Echinococcus granulosus tyrosine kinase 0.0133 0.0063 0.0521
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0101 0.0038 0.0194
Schistosoma mansoni tyrosine kinase 0.0768 0.056 0.0526
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Echinococcus granulosus high affinity choline transporter 1 0.042 0.0288 0.4789
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0101 0.0038 0.0037
Loa Loa (eye worm) SRC-1 0.0768 0.056 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0372 0.0251 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0177 0.0098 0.1178
Echinococcus multilocularis 0.0101 0.0038 0.0037
Echinococcus granulosus SH2 domain containing adapter protein F 0.0101 0.0038 0.0037
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0182 0.0102 1
Brugia malayi Tensin 0.0101 0.0038 0.0037
Brugia malayi Protein kinase domain containing protein 0.0133 0.0063 0.0522
Brugia malayi RhoGAP domain containing protein 0.0101 0.0038 0.0037
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0768 0.056 1
Onchocerca volvulus 0.0161 0.0086 0.4923
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0182 0.0102 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0377 0.0254 0.4157
Onchocerca volvulus 0.0227 0.0137 1
Echinococcus multilocularis signal transduction protein lnk realted 0.0101 0.0038 0.0037
Brugia malayi protein-tyrosine kinase 0.067 0.0484 0.8538
Schistosoma mansoni tyrosine kinase 0.0171 0.0093 0.0057
Loa Loa (eye worm) protein-tyrosine kinase 0.0098 0.0036 0.0232
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0199 0.0115 0.1697
Echinococcus multilocularis c src tyrosine kinase 0.0325 0.0213 0.3382
Echinococcus multilocularis SH2 motif 0.0101 0.0038 0.0037
Echinococcus granulosus tyrosine protein kinase Fyn 0.0768 0.056 0.998
Brugia malayi GH02984p 0.042 0.0288 0.4799
Loa Loa (eye worm) hypothetical protein 0.0098 0.0036 0.0232
Echinococcus multilocularis tyrosine protein kinase csk 0.0126 0.0058 0.042
Onchocerca volvulus 0.0101 0.0038 0.0194
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0101 0.0038 0.0037
Echinococcus granulosus tyrosine protein kinase Src42A 0.0768 0.056 0.998
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0372 0.0251 1
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.0036 0.5
Brugia malayi hypothetical protein 0.0101 0.0038 0.0037
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0177 0.0098 0.1176
Echinococcus multilocularis SH2 motif 0.0101 0.0038 0.0037
Loa Loa (eye worm) TK/EGFR protein kinase 0.0471 0.0328 0.5667
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Echinococcus multilocularis mitogen activated protein kinase 14 0.0372 0.0251 0.4093
Brugia malayi Variant SH3 domain containing protein 0.0101 0.0038 0.0037
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0267 0.0168 0.2515
Chlamydia trachomatis 3-hydroxyacyl-ACP dehydratase 0.0497 0.0348 0.5
Echinococcus multilocularis mitogen activated protein kinase 14 0.0372 0.0251 0.4093
Brugia malayi Variant SH3 domain containing protein 0.0199 0.0115 0.15
Schistosoma mansoni growth factor receptor-bound protein 0.0199 0.0115 0.0079
Echinococcus granulosus snurportin 1 0.0372 0.025 0.4074
Echinococcus granulosus mitogen activated protein kinase 14 0.0372 0.0251 0.4084
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Echinococcus multilocularis SH2 motif 0.0101 0.0038 0.0037
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0231 0.014 0.1985
Schistosoma mansoni tensin-related 0.0101 0.0038 0.0002
Echinococcus multilocularis tyrosine protein kinase Abl 0.0464 0.0322 0.5464
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Loa Loa (eye worm) TK protein kinase 0.057 0.0405 0.7107
Echinococcus granulosus tyrosine protein kinase csk 0.0126 0.0058 0.0419
Entamoeba histolytica protein kinase, putative 0.057 0.0405 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.025 0.422
Brugia malayi Variant SH3 domain containing protein 0.0101 0.0038 0.0037
Brugia malayi Cytochrome P450 family protein 0.0099 0.0037 0.0012
Loa Loa (eye worm) hypothetical protein 0.0098 0.0036 0.0232
Brugia malayi tRNA modification GTPase TrmE family protein 0.0101 0.0038 0.0037
Brugia malayi Protein kinase domain containing protein 0.0133 0.0063 0.0522
Echinococcus multilocularis tyrosine protein kinase Blk 0.067 0.0484 0.8538
Schistosoma mansoni tensin 0.0101 0.0038 0.0002
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0101 0.0038 0.0037
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0182 0.0102 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0182 0.0102 1
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0101 0.0038 0.0037
Onchocerca volvulus 0.0101 0.0038 0.0194
Schistosoma mansoni tyrosine kinase 0.0325 0.0213 0.0178
Echinococcus granulosus NCK adaptor protein 0.0199 0.0115 0.1497
Echinococcus multilocularis N chimaerin 0.0101 0.0038 0.0037
Echinococcus granulosus mitogen activated protein kinase 11 0.0372 0.0251 0.4084
Loa Loa (eye worm) hypothetical protein 0.0199 0.0115 0.1697
Echinococcus granulosus tyrosine protein kinase Blk 0.067 0.0484 0.852
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0768 0.056 1
Loa Loa (eye worm) hypothetical protein 0.042 0.0288 0.492
Echinococcus granulosus SH2 motif 0.0101 0.0038 0.0037
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0182 0.0102 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0182 0.0102 1
Schistosoma mansoni tyrosine kinase 0.0133 0.0063 0.0027
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0101 0.0038 0.0037
Loa Loa (eye worm) SH2 domain-containing protein 0.0194 0.0111 0.1633
Echinococcus granulosus tyrosine protein kinase HCK 0.057 0.0405 0.7024
Entamoeba histolytica SH2 domain containing protein 0.0101 0.0038 0.0053
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0101 0.0038 0.0002
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0101 0.0038 0.0268
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0101 0.0038 0.0037
Brugia malayi SH2 domain containing protein 0.0101 0.0038 0.0037
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0231 0.014 0.1981
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0182 0.0102 1
Echinococcus granulosus insulin receptor 0.0171 0.0093 0.1085
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0101 0.0038 0.0037
Brugia malayi cytokine inducible SH2-containing protein 5 0.0101 0.0038 0.0037
Echinococcus granulosus SH2 domain containing protein 7 0.0101 0.0038 0.0037
Echinococcus multilocularis insulin receptor 0.0171 0.0093 0.1088
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0182 0.0102 1
Brugia malayi hypothetical protein 0.0133 0.0063 0.0522
Brugia malayi Protein kinase domain containing protein 0.0133 0.0063 0.0522
Echinococcus multilocularis SH2 domain containing protein 7 0.0101 0.0038 0.0037
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0101 0.0038 0.0268
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.2334 0.1785 0.1755
Echinococcus granulosus c src tyrosine kinase 0.0325 0.0213 0.3375
Toxoplasma gondii 1,3-beta-glucan synthase component protein 1.0656 0.8294 1
Loa Loa (eye worm) hypothetical protein 0.0266 0.0167 0.2675
Brugia malayi SH2 domain containing protein 0.0101 0.0038 0.0037
Brugia malayi SH2 domain containing protein 0.0101 0.0038 0.0037
Echinococcus multilocularis high affinity choline transporter 1 0.042 0.0288 0.4799
Schistosoma mansoni tyrosine kinase 0.0267 0.0168 0.0133
Schistosoma mansoni tensin 0.0101 0.0038 0.0002
Trichomonas vaginalis p67phox protein, putative 0.0098 0.0036 0.5
Echinococcus granulosus tyrosine kinase 0.067 0.0484 0.852
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0182 0.0102 1
Brugia malayi SRC-1 0.0768 0.056 1
Echinococcus multilocularis tyrosine protein kinase csk 0.0126 0.0058 0.042
Schistosoma mansoni tyrosine kinase 0.0171 0.0093 0.0057
Brugia malayi Protein kinase domain containing protein 0.0171 0.0093 0.1088
Loa Loa (eye worm) protein kinase C and casein kinase substrate in neurons protein 2 0.0098 0.0036 0.0232
Echinococcus granulosus tyrosine protein kinase Srms 0.0133 0.0063 0.0521
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0182 0.0102 1
Onchocerca volvulus 0.0101 0.0038 0.0194
Echinococcus multilocularis epidermal growth factor receptor 0.0267 0.0168 0.252
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0182 0.0102 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0768 0.056 1
Mycobacterium leprae putative cytochrome p450 0.0182 0.0102 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0182 0.0102 1
Echinococcus multilocularis tyrosine protein kinase shark 0.0133 0.0063 0.0522
Loa Loa (eye worm) hypothetical protein 0.0098 0.0036 0.0232
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0101 0.0038 0.0037
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Echinococcus granulosus tyrosine protein kinase csk 0.0126 0.0058 0.0419
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0102 0.0039 0.0082
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0133 0.0063 0.0521
Loa Loa (eye worm) hypothetical protein 0.0161 0.0086 0.1155
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0182 0.0102 1
Schistosoma mansoni hypothetical protein 0.0101 0.0038 0.0002
Brugia malayi P38 map kinase family protein 2 0.0372 0.0251 0.4093
Loa Loa (eye worm) TK/EPH protein kinase 0.0238 0.0146 0.2273
Schistosoma mansoni ephrin receptor 0.0194 0.0111 0.0075
Echinococcus multilocularis epidermal growth factor receptor 0.0471 0.0328 0.5564
Echinococcus multilocularis tyrosine protein kinase HCK 0.057 0.0405 0.7038
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0182 0.0102 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Echinococcus granulosus tyrosine protein kinase ABL1 0.0743 0.054 0.9602
Echinococcus multilocularis tensin 0.0101 0.0038 0.0037
Schistosoma mansoni tyrosine kinase 0.0768 0.056 0.0526
Schistosoma mansoni tyrosine kinase 0.0234 0.0143 0.0107
Schistosoma mansoni tensin 0.0101 0.0038 0.0002
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0101 0.0038 0.0037
Echinococcus multilocularis 0.0137 0.0066 0.0574
Loa Loa (eye worm) cytochrome P450 family protein 0.0099 0.0037 0.0244
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.0036 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0768 0.056 0.998
Echinococcus granulosus tyrosine protein kinase Lyn 0.077 0.0561 1
Echinococcus granulosus growth factor receptor bound protein 2 0.0199 0.0115 0.1497
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Echinococcus multilocularis tyrosine protein kinase Srms 0.067 0.0484 0.8538
Onchocerca volvulus 0.0101 0.0038 0.0194
Trichomonas vaginalis neutrophil cytosolic factor 2, neutrophil NADPH oxidase factor, putative 0.0098 0.0036 0.5
Loa Loa (eye worm) thyroid receptor interactor 0.0098 0.0036 0.0232
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0101 0.0038 0.0037
Entamoeba histolytica protein kinase, putative 0.0102 0.0039 0.0082
Brugia malayi SH2 domain containing protein 0.0101 0.0038 0.0037
Schistosoma mansoni signal transduction protein lnk-related 0.0101 0.0038 0.0002
Plasmodium vivax beta-hydroxyacyl-ACP dehydratase precursor, putative 0.0497 0.0348 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0182 0.0102 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0036 0.0232
Echinococcus multilocularis NCK adaptor protein 0.0199 0.0115 0.15
Loa Loa (eye worm) hypothetical protein 0.0098 0.0036 0.0232
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0101 0.0038 0.0002
Schistosoma mansoni adapter molecule crk 0.0199 0.0115 0.0079
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0372 0.0251 0.423
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0101 0.0038 0.0002
Loa Loa (eye worm) SH2 domain-containing protein 0.0101 0.0038 0.0268
Echinococcus granulosus hypothetical protein 0.0101 0.0038 0.0037
Echinococcus granulosus epidermal growth factor receptor 0.0471 0.0328 0.5553
Loa Loa (eye worm) guanylate kinase 0.0098 0.0036 0.0232
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0101 0.0038 0.0268
Schistosoma mansoni growth factor receptor-bound protein 0.0199 0.0115 0.0079
Loa Loa (eye worm) hypothetical protein 0.0133 0.0063 0.0742
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0182 0.0102 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0101 0.0038 0.0037
Loa Loa (eye worm) hypothetical protein 0.0098 0.0036 0.0232
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0182 0.0102 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0743 0.054 0.9621
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0101 0.0038 0.0002
Loa Loa (eye worm) hypothetical protein 0.0098 0.0036 0.0232
Schistosoma mansoni SH2A 0.0101 0.0038 0.0002
Echinococcus granulosus suppressor of cytokine signaling 7 0.0101 0.0038 0.0037
Echinococcus multilocularis tensin 0.0101 0.0038 0.0037
Echinococcus multilocularis tyrosine protein kinase Fyn 0.067 0.0484 0.8538
Echinococcus multilocularis mitogen activated protein kinase 11 0.0372 0.0251 0.4093
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.067 0.0484 0.852
Echinococcus granulosus ephrin type A receptor 4 A 0.0232 0.0141 0.1999
Echinococcus granulosus tensin 0.0101 0.0038 0.0037
Schistosoma mansoni high-affinity choline transporter 0.042 0.0288 0.0253
Brugia malayi SH2 domain containing protein 0.0101 0.0038 0.0037
Echinococcus granulosus signal transduction protein lnk realted 0.0101 0.0038 0.0037
Schistosoma mansoni tyrosine kinase 0.0133 0.0063 0.0027
Brugia malayi Tyrosine-protein kinase abl-1 0.0464 0.0322 0.5464
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0768 0.056 0.998
Loa Loa (eye worm) TK/CSK protein kinase 0.0126 0.0058 0.0642
Schistosoma mansoni suppressor of cytokine signaling 0.0101 0.0038 0.0002
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0182 0.0102 1
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.0036 0.5
Brugia malayi ephrin receptor 1 precursor 0.0109 0.0044 0.0157
Echinococcus multilocularis tyrosine protein kinase csk 0.0126 0.0058 0.042
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0133 0.0063 0.0522
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0101 0.0038 0.0037
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0768 0.056 1
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.0036 0.5
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0182 0.0102 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0942 0.0696 0.0439
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.0036 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0768 0.056 0.998
Schistosoma mansoni nck2/grb4 0.0199 0.0115 0.0079
Brugia malayi Protein kinase domain containing protein 0.0133 0.0063 0.0522
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0182 0.0102 1
Brugia malayi RNA, U transporter 1 0.0099 0.0037 0.0015
Brugia malayi SH2 domain containing protein 0.0227 0.0137 0.1919
Plasmodium falciparum beta-hydroxyacyl-ACP dehydratase 0.0497 0.0348 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Loa Loa (eye worm) TK/ABL protein kinase 0.0743 0.054 0.963
Echinococcus granulosus tyrosine protein kinase Src42A 0.0638 0.0458 0.8036
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0182 0.0102 1
Schistosoma mansoni suppressor of cytokine signaling 0.0101 0.0038 0.0002
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0768 0.056 1
Schistosoma mansoni vav2 0.0101 0.0038 0.0002
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0768 0.056 0.998
Loa Loa (eye worm) TK/INSR protein kinase 0.0171 0.0093 0.1294
Echinococcus granulosus SH2 motif 0.0101 0.0038 0.0037
Echinococcus multilocularis tyrosine protein kinase csk 0.0126 0.0058 0.042
Onchocerca volvulus 0.0101 0.0038 0.0194
Loa Loa (eye worm) hypothetical protein 0.0101 0.0038 0.0268
Schistosoma mansoni tyrosine kinase 0.0234 0.0143 0.0107
Echinococcus granulosus SHC transforming protein 3 0.0101 0.0038 0.0037
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0199 0.0115 0.0079
Loa Loa (eye worm) TK/FER protein kinase 0.0133 0.0063 0.0742
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0098 0.0036 0.0232
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0638 0.0458 0.8053
Loa Loa (eye worm) STAT protein 0.0101 0.0038 0.0268
Echinococcus multilocularis tyrosine kinase 0.0133 0.0063 0.0522
Onchocerca volvulus 0.0133 0.0063 0.2721
Schistosoma mansoni hypothetical protein 0.0372 0.025 0.0215
Schistosoma mansoni serine/threonine protein kinase 0.0131 0.0061 0.0026
Echinococcus granulosus tyrosine protein kinase shark 0.0133 0.0063 0.0521
Wolbachia endosymbiont of Brugia malayi (3R)-hydroxymyristoyl-ACP dehydratase 0.0497 0.0348 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0231 0.014 0.0104
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0101 0.0038 0.0268
Loa Loa (eye worm) hypothetical protein 0.0098 0.0036 0.0232
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.0036 0.5
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0182 0.0102 1
Onchocerca volvulus 0.0133 0.0063 0.2721
Schistosoma mansoni tyrosine kinase 0.0234 0.0143 0.0107

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 11000 nM BindingDB_Patents: Inhibition Assay. To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prior to these studies we showed that the nicotine analogs were quite metabolically stable in the presence of mouse or rat or human liver microsomes (i.e., T1/2>60 mins). That the nicotine analogs showed low or no inhibitory activity against other CYPs suggests that the inhibitors examined selectively inhibited CYP2A6. A typical incubation mixture (final volume 0.25 mL) contained 50 mM Tris or KPhos buffer (pH 7.5), 0.5 mM NADP+, 2.0 mM G6P, 1 U of G6P dehydrogenase and 0.6 mg DETAPAC and the inhibitor was added last to minimize interaction with the protein. After mixing on ice, the reaction was initiated by the addition of substrate and incubated at 37° C. with shaking in air. Organic extracts were analyzed by fluorescence (for fluorometric substrates) or injected onto a Hitachi L-7100 system equipped with a Hitachi L-7400 UV detector. ChEMBL. No reference
IC50 (binding) = 170000 nM Inhibition Assay BINDINGDB. No reference
IC50 (binding) = 1.5 uM Inhibition of wild type cytochrome P450cam expressed in Escherichia coli ChEMBL. 15214784
IC50 (binding) = 1.5 uM Inhibition of wild type cytochrome P450cam expressed in Escherichia coli ChEMBL. 15214784

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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