TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 534.648 | Formula: C33H34N4O3
H donors: 2 H acceptors: 2 LogP: 4.74 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(c1)[nH]nc3/C=C/c1ccc(cc1)CN1C[C@H](C)O[C@@H](C1)C)C(=O)N2
InChi: 1S/C33H34N4O3/c1-20-17-37(18-21(2)40-20)19-23-6-4-22(5-7-23)8-12-29-26-11-9-24(14-31(26)36-35-29)28-16-33(28)27-15-25(39-3)10-13-30(27)34-32(33)38/h4-15,20-21,28H,16-19H2,1-3H3,(H,34,38)(H,35,36)/b12-8+/t20-,21+,28-,33-/m0/s1
InChiKey: DADASRPKWOGKCU-FVTQAUBDSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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	TEK tyrosine kinase, endothelial	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	neurotrophic tyrosine kinase, receptor, type 1	Starlite/ChEMBL	References
Homo sapiens	neurotrophic tyrosine kinase, receptor, type 2	Starlite/ChEMBL	References
Homo sapiens	polo-like kinase 4	Starlite/ChEMBL	References
Homo sapiens	aurora kinase B		References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	References
Homo sapiens	inner centromere protein antigens 135/155kDa	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	References
Homo sapiens	aurora kinase A	Starlite/ChEMBL	References
Homo sapiens	fibroblast growth factor receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	hypothetical protein	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	fibroblast growth factor receptor 4	Get druggable targets OG5_128769	All targets in OG5_128769
Toxoplasma gondii	aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine-protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_128769	All targets in OG5_128769
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	Serine:threonine protein kinase PLK4	Get druggable targets OG5_134726	All targets in OG5_134726
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Serine/threonine-protein kinase PLK4, putative	Get druggable targets OG5_134726	All targets in OG5_134726
Plasmodium falciparum	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_128769	All targets in OG5_128769
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium vivax	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Serine/threonine-protein kinase PLK4, putative	Get druggable targets OG5_134726	All targets in OG5_134726
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Giardia lamblia	Aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania braziliensis	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Trypanosoma brucei gambiense	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	Get druggable targets OG5_128769	All targets in OG5_128769
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium hominis	protein kinase (EC 2.7.1.-) p46XlEg22	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	IPR002048,Calcium-binding EF-hand;IPR001245,Tyrosine protein kinase;IPR000719,Protein kinase;IPR011009,Protein kinase-like,domai	Get druggable targets OG5_128769	All targets in OG5_128769
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	Get druggable targets OG5_134726	All targets in OG5_134726
Echinococcus multilocularis	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania major	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	ko:K08850 aurora kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium berghei	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	Fibroblast growth factor receptor precursor, putative	Get druggable targets OG5_128769	All targets in OG5_128769
Brugia malayi	serine/threonine kinase 12	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania mexicana	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium yoelii	putative protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania donovani	Aurora I-related kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Serine/threonine-protein kinase 12, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma congolense	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	kinase	Get druggable targets OG5_134726	All targets in OG5_134726
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	Get druggable targets OG5_128769	All targets in OG5_128769
Echinococcus granulosus	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium knowlesi	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Cryptosporidium parvum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Entamoeba histolytica	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	fibroblast growth factor receptor 4	Get druggable targets OG5_128769	All targets in OG5_128769
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_136427	All targets in OG5_136427
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128769	All targets in OG5_128769
Brugia malayi	hypothetical protein	Get druggable targets OG5_136427	All targets in OG5_136427
Trypanosoma cruzi	aurora B kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Peroxidasin	neurotrophic tyrosine kinase, receptor, type 2	477 aa	385 aa	22.6 %
Trypanosoma brucei	mitogen-activated protein kinase 5	aurora kinase B	303 aa	299 aa	22.1 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0267	0.0267
Schistosoma mansoni	cytochrome P450	0.0013	0.006	0.0111
Brugia malayi	Fibronectin type III domain containing protein	0.0018	0.021	0.0204
Entamoeba histolytica	protein kinase domain containing protein	0.0137	0.339	1
Entamoeba histolytica	protein kinase , putative	0.0137	0.339	1
Schistosoma mansoni	kinase	0.0193	0.4919	1
Schistosoma mansoni	titin	0.0012	0.0046	0.0081
Loa Loa (eye worm)	TK protein kinase	0.0129	0.3194	0.3194
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0011	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0018	0.021	0.021
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0123	0.3021	0.8908
Loa Loa (eye worm)	cytochrome P450	0.0013	0.006	0.006
Echinococcus granulosus	titin	0.0012	0.0046	0.0118
Brugia malayi	protein unc-22	0.0012	0.0046	0.004
Entamoeba histolytica	protein kinase, putative	0.0137	0.339	1
Schistosoma mansoni	hypothetical protein	0.0013	0.006	0.0111
Echinococcus multilocularis	titin	0.0012	0.0046	0.0118
Echinococcus granulosus	slit 2 protein	0.0019	0.0222	0.0637
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0013	0.006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0267	0.0267
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0395	0.039
Echinococcus granulosus	neuroglian	0.0021	0.0267	0.0771
Trichomonas vaginalis	CAMK family protein kinase	0.0059	0.1305	0.2936
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0137	0.339	1
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0137	0.339	1
Brugia malayi	Cytochrome P450 family protein	0.0059	0.13	0.1295
Schistosoma mansoni	vesicular amine transporter	0.0014	0.0093	0.0178
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0018	0.0196	0.019
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0123	0.3021	0.8908
Loa Loa (eye worm)	CAMK protein kinase	0.0012	0.0046	0.0046
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0013	0.006	0.5
Echinococcus granulosus	titin	0.0012	0.0046	0.0118
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.13	0.13
Schistosoma mansoni	serine/threonine protein kinase	0.0137	0.339	0.6889
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.339	1
Brugia malayi	serine/threonine kinase 12	0.0137	0.339	0.3387
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0345	0.0339
Leishmania major	protein kinase, putative	0.0137	0.339	1
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.0345	0.0345
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0137	0.339	1
Echinococcus granulosus	defective proboscis extension response	0.0014	0.0093	0.0258
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0012	0.0046	0.004
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0018	0.021	0.0204
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0014	0.0093	0.0258
Leishmania major	cytochrome p450-like protein	0.0023	0.0345	0.0855
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0013	0.006	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0013	0.006	0.5
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0137	0.339	1
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	0.0136	0.3369	0.9937
Schistosoma mansoni	serine/threonine protein kinase	0.0059	0.1305	0.2644
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.339	1
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0123	0.3021	0.8908
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0059	0.1305	0.3838
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0013	0.006	0.5
Echinococcus multilocularis	slit 2 protein	0.0019	0.0222	0.0637
Echinococcus multilocularis	roundabout 2	0.0025	0.0384	0.1116
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0345	0.0345
Schistosoma mansoni	tyrosine kinase	0.0123	0.3021	0.6137
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0129	0.3194	0.319
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0059	0.1305	0.1305
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0093	0.0093
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0014	0.0093	0.0258
Brugia malayi	cytochrome P450	0.0013	0.006	0.0054
Echinococcus multilocularis	aurora kinase A	0.0137	0.339	1
Onchocerca volvulus		0.0019	0.0214	0.1606
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0345	0.0855
Entamoeba histolytica	protein kinase, putative	0.0137	0.339	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.021	0.021
Trypanosoma brucei	cytochrome P450, putative	0.0023	0.0345	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0438	0.0438
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0345	0.0855
Brugia malayi	hypothetical protein	0.0027	0.0438	0.0432
Echinococcus granulosus	roundabout 2	0.0025	0.0384	0.1116
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0013	0.006	0.5
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0012	0.0046	0.0046
Trypanosoma cruzi	aurora B kinase, putative	0.0137	0.339	1
Schistosoma mansoni	nephrin	0.0025	0.0384	0.0769
Schistosoma mansoni	serine/threonine protein kinase	0.0012	0.0046	0.0081
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.339	1
Loa Loa (eye worm)	projectin	0.0011	0.0006	0.0006
Trypanosoma brucei	polo-like protein kinase	0.0059	0.1305	0.3737
Brugia malayi	serine/threonine protein kinase 6	0.0137	0.339	0.3387
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0013	0.006	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0059	0.1305	0.2936
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0025	0.0395	0.0395
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0011	0.0006	0.0006
Trichomonas vaginalis	CAMK family protein kinase	0.0059	0.1305	0.2936
Brugia malayi	serine/threonine-protein kinase 6	0.0137	0.339	0.3387
Echinococcus granulosus	Immunoglobulin	0.0014	0.0093	0.0258
Echinococcus granulosus	Serine:threonine protein kinase PLK4	0.0136	0.3369	0.9937
Onchocerca volvulus		0.0027	0.0438	0.3326
Brugia malayi	hypothetical protein	0.0018	0.021	0.0204
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0137	0.339	1
Loa Loa (eye worm)	AUR protein kinase	0.0137	0.339	0.339
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0013	0.006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0006
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0059	0.1305	0.3838
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0013	0.006	0.5
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0137	0.339	1
Loa Loa (eye worm)	AUR protein kinase	0.0137	0.339	0.339
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0345	0.0345
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0013	0.006	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0013	0.006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0093	0.0093
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0014	0.0093	0.0178
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0023	0.0345	1
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0014	0.0093	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0018	0.021	0.021
Brugia malayi	EGF-like domain containing protein	0.0019	0.0222	0.0216
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0011	0.0006	0.0006
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0013	0.006	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0013	0.006	0.5
Schistosoma mansoni	protein kinase	0.0137	0.339	0.6889
Loa Loa (eye worm)	hypothetical protein	0.0014	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0222	0.0222
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0013	0.006	0.5
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0059	0.1305	1
Trypanosoma brucei	aurora B kinase	0.0137	0.339	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0018	0.0196	0.0196
Toxoplasma gondii	aurora kinase	0.0137	0.339	1
Trichomonas vaginalis	CAMK family protein kinase	0.0059	0.1305	0.2936
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0013	0.006	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0059	0.1305	0.2936
Loa Loa (eye worm)	hypothetical protein	0.0382	1	1
Echinococcus granulosus	aurora kinase A	0.0137	0.339	1
Onchocerca volvulus	Slit protein homolog	0.0019	0.0222	0.1661
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0011	0.0006	0.0006
Echinococcus granulosus	cytochrome P450 2K1	0.0013	0.006	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0006
Mycobacterium leprae	Conserved hypothetical protein	0.0013	0.006	0.5
Toxoplasma gondii	hypothetical protein	0.0027	0.0438	0.1134
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0013	0.006	0.5
Brugia malayi	Cytochrome P450 family protein	0.0013	0.006	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0006	0.0006
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0013	0.006	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0013	0.006	0.5
Brugia malayi	serine/threonine-protein kinase plk-2	0.0059	0.1305	0.13
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0093	0.0093
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0013	0.006	0.5
Trypanosoma cruzi	polo-like protein kinase, putative	0.0059	0.1305	0.3737
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0012	0.0046	0.0046
Echinococcus multilocularis	Immunoglobulin	0.0014	0.0093	0.0258
Trichomonas vaginalis	CAMK family protein kinase	0.0059	0.1305	0.2936
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0013	0.006	0.5
Mycobacterium leprae	putative cytochrome p450	0.0013	0.006	0.5
Echinococcus multilocularis		0.0013	0.006	0.0161
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0059	0.1305	0.3737
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0137	0.339	1
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.339	1
Echinococcus multilocularis	Immunoglobulin	0.0014	0.0093	0.0258
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0345	0.0339
Trypanosoma cruzi	polo-like protein kinase, putative	0.0059	0.1305	0.3737
Echinococcus granulosus	twitchin	0.0022	0.0307	0.0889
Onchocerca volvulus		0.0012	0.0046	0.0307
Giardia lamblia	Aurora kinase	0.0137	0.339	1
Loa Loa (eye worm)	AUR protein kinase	0.0137	0.339	0.339
Echinococcus multilocularis	neuroglian	0.0021	0.0267	0.0771
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0123	0.3021	0.8908
Trichomonas vaginalis	CAMK family protein kinase	0.0059	0.1305	0.2936
Schistosoma mansoni	cell adhesion molecule	0.0018	0.021	0.0416

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 12 nM	Inhibition of PLK4 (unknown origin) by cell-based assay	ChEMBL.	25723005
EC50 (binding)	= 12.3 nM	Inhibition of PLK-4 (unknown origin)	ChEMBL.	25791677
EC50 (binding)	= 84 nM	Inhibition of TRKA (unknown origin) by cell-based assay	ChEMBL.	25723005
EC50 (binding)	= 84 nM	Inhibition of TRKA (unknown origin)	ChEMBL.	25791677
EC50 (binding)	= 88 nM	Inhibition of TRKB (unknown origin) by cell-based assay	ChEMBL.	25723005
EC50 (binding)	= 88 nM	Inhibition of TRKB (unknown origin)	ChEMBL.	25791677
EC50 (binding)	= 102 nM	Inhibition of AURKB/INCENP (unknown origin) by cell-based assay	ChEMBL.	25723005
EC50 (binding)	= 102 nM	Inhibition of AURKB (unknown origin)	ChEMBL.	25791677
EC50 (binding)	= 117 nM	Inhibition of TIE2 (unknown origin) by cell-based assay	ChEMBL.	25723005
EC50 (binding)	= 117 nM	Inhibition of TIE2/TEK (unknown origin)	ChEMBL.	25791677
EC50 (binding)	= 510 nM	Inhibition of AURKA (unknown origin) by cell-based assay	ChEMBL.	25723005
EC50 (binding)	= 510 nM	Inhibition of AURKA (unknown origin)	ChEMBL.	25791677
EC50 (binding)	= 1100 nM	Inhibition of FGFR1 (unknown origin)	ChEMBL.	25791677
GI50 (functional)	= 0.006 uM	Growth inhibition of human MDA-MB-468 cells after 5 days by SRB assay	ChEMBL.	25723005
IC50 (binding)	= 2.8 nM	Inhibition of PLK4 (unknown origin) by ELISA	ChEMBL.	25723005
IC50 (binding)	= 2.8 nM	Inhibition of PLK-4 (unknown origin)	ChEMBL.	25791677
IC50 (binding)	= 6 nM	Inhibition of TRKA (unknown origin) by FRET analysis	ChEMBL.	25723005
IC50 (binding)	= 9 nM	Inhibition of TRKB (unknown origin) by FRET analysis	ChEMBL.	25723005
IC50 (binding)	= 22 nM	Inhibition of TIE2 (unknown origin) by FRET analysis	ChEMBL.	25723005
IC50 (binding)	= 98 nM	Inhibition of AURKB/INCENP (unknown origin) by FRET analysis	ChEMBL.	25723005
IC50 (binding)	= 140 nM	Inhibition of AURKA (unknown origin) by FRET analysis	ChEMBL.	25723005
IC50 (ADMET)	= 0.94 uM	Inhibition of CYP2C9 (unknown origin) by fluorescence assay	ChEMBL.	25723005
IC50 (ADMET)	= 1.4 uM	Inhibition of CYP2C19 (unknown origin) by fluorescence assay	ChEMBL.	25723005
IC50 (ADMET)	= 3.1 uM	Inhibition of CYP3A4 (unknown origin) using BFC as substrate by fluorescence assay	ChEMBL.	25723005
IC50 (ADMET)	= 4.6 uM	Inhibition of CYP3A4 (unknown origin) using DBF as substrate by fluorescence assay	ChEMBL.	25723005
IC50 (binding)	> 50 uM	Inhibition of PLK-3 (unknown origin)	ChEMBL.	25791677
IC50 (binding)	> 50 uM	Inhibition of PLK-2 (unknown origin)	ChEMBL.	25791677
IC50 (binding)	> 50 uM	Inhibition of PLK-1 (unknown origin)	ChEMBL.	25791677
Inhibition (ADMET)		Inhibition of CYP2D6 (unknown origin) by fluorescence assay	ChEMBL.	25723005
Inhibition (binding)		Inhibition of PLK1 (unknown origin) at 50 uM by FRET analysis	ChEMBL.	25723005
Inhibition (binding)		Inhibition of PLK2 (unknown origin) at 50 uM by FRET analysis	ChEMBL.	25723005
Inhibition (binding)		Inhibition of PLK3 (unknown origin) at 50 uM by FRET analysis	ChEMBL.	25723005
Inhibition (ADMET)		Inhibition of CYP1A2 (unknown origin) by fluorescence assay	ChEMBL.	25723005
Ki (binding)	= 0.26 nM	Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP	ChEMBL.	25723005
Ki (binding)	= 0.26 nM	Competitive inhibition of PLK-4 (unknown origin)	ChEMBL.	25791677
T1/2 (ADMET)	= 24 min	Half life in mouse liver microsomes	ChEMBL.	25723005

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

ChEMBL: CHEMBL3408947

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1933032