Detailed information for compound 1260108

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.516 | Formula: C22H23N5OS
  • H donors: 3 H acceptors: 2 LogP: 2.93 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cnc(c2c1sc(c2)c1ccc2c(c1)ccn2C)N[C@H]1CCCNC1
  • InChi: 1S/C22H23N5OS/c1-27-8-6-13-9-14(4-5-18(13)27)19-10-16-20(29-19)17(21(23)28)12-25-22(16)26-15-3-2-7-24-11-15/h4-6,8-10,12,15,24H,2-3,7,11H2,1H3,(H2,23,28)(H,25,26)/t15-/m0/s1
  • InChiKey: CSOUHKGJOCAQOJ-HNNXBMFYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens checkpoint kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_130454 All targets in OG5_130454
Schistosoma japonicum Serine/threonine-protein kinase Chk1, putative Get druggable targets OG5_130454 All targets in OG5_130454
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 multilocularis geminin 0.0556 0.2747 0.4704
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.008 0.0321 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.012 0.0391
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0192 0.0146
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0234 0.033
Trypanosoma cruzi trypanothione reductase, putative 0.0035 0.0093 0.0082
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.008 0.0321 0.0482
Mycobacterium tuberculosis Probable reductase 0.023 0.1088 0.8546
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.008 0.0321 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0212 0.022
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0079
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0118 0.0518 0.0761
Mycobacterium tuberculosis Probable oxidoreductase 0.0256 0.1219 0.9671
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0087 0.0051
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0046 0.0046
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0118 0.0518 0.0761
Toxoplasma gondii NADPH-glutathione reductase 0.0035 0.0093 0.1222
Mycobacterium ulcerans hypothetical protein 0.0157 0.0716 1
Trypanosoma brucei trypanothione reductase 0.0101 0.0429 0.2049
Trypanosoma cruzi ISWI complex protein 0.003 0.007 0.004
Onchocerca volvulus 0.0247 0.117 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0125 0.0067
Trichomonas vaginalis ap endonuclease, putative 0.004 0.012 0.1156
Echinococcus multilocularis thioredoxin glutathione reductase 0.0101 0.0429 0.0605
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0125 0.1399
Plasmodium vivax proteasome subunit beta type-5, putative 0.008 0.0321 0.7175
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.1436 0.244
Leishmania major hypothetical protein, conserved 0.0041 0.0125 0.0138
Loa Loa (eye worm) beta-lactamase 0.0041 0.0125 0.0079
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0035 0.0093 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.023 0.1088 0.8546
Trypanosoma cruzi hypothetical protein, conserved 0.0247 0.117 0.1973
Echinococcus granulosus microtubule associated protein 2 0.0719 0.3573 0.6165
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0042 0.0131 0.0085
Trichomonas vaginalis importin beta-1, putative 0.0047 0.0153 0.2602
Schistosoma mansoni hypothetical protein 0.0556 0.2747 0.7642
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0129 0.0145
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0247 0.117 0.1973
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0212 0.1902
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0129 0.0145
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0125 0.0159
Plasmodium falciparum glutathione reductase 0.0101 0.0429 1
Brugia malayi hypothetical protein 0.0149 0.0676 0.0676
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0278 0.0337
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Echinococcus multilocularis muscleblind protein 0.0307 0.1478 0.246
Brugia malayi Protein kinase domain containing protein 0.0202 0.0944 0.0944
Onchocerca volvulus 0.0149 0.0676 0.5271
Trypanosoma cruzi hypothetical protein, conserved 0.0247 0.117 0.1973
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0129 0.0145
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0165 0.0165
Brugia malayi hypothetical protein 0.0094 0.0392 0.0392
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0046 0.0046
Loa Loa (eye worm) glutathione reductase 0.0101 0.0429 0.0384
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0035 0.0093 0.0011
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0035 0.0093 0.025
Mycobacterium tuberculosis Putative ferredoxin reductase 0.023 0.1088 0.8546
Leishmania major cathepsin L-like protease 0.0063 0.0234 0.033
Leishmania major importin beta-1 subunit, putative 0.0047 0.0153 0.0186
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0278 0.0337
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0093 0.0082
Echinococcus multilocularis importin subunit beta 1 0.0058 0.0208 0.0213
Mycobacterium tuberculosis Conserved protein 0.0041 0.0125 0.0274
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0125 0.0067
Plasmodium vivax glutathione reductase, putative 0.0101 0.0429 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.0635 0.1033
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0125 0.0079
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0094 0.0047
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.0716 0.5353
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0093 0.0082
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.0143 0.0098
Trypanosoma brucei ISWI complex protein 0.003 0.007 0.0123
Brugia malayi Proteasome A-type and B-type family protein 0.008 0.0321 0.0321
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0123 0.0077
Trypanosoma cruzi trypanothione reductase, putative 0.0101 0.0429 0.0672
Echinococcus multilocularis microtubule associated protein 2 0.0719 0.3573 0.6165
Mycobacterium ulcerans lipase LipD 0.0041 0.0125 0.0512
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.008 0.0321 0.0718
Toxoplasma gondii exonuclease III APE 0.004 0.012 0.191
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0035 0.0093 0.1222
Schistosoma mansoni hypothetical protein 0.0556 0.2747 0.7642
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0214 0.194
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.1145 0.5741 1
Echinococcus multilocularis choline O acetyltransferase 0.0247 0.117 0.1915
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0125 0.0274
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1145 0.5741 1
Schistosoma mansoni microtubule-associated protein tau 0.0719 0.3573 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0125 0.0159
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0093 0.0082
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0125 0.1399
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.0143 0.0209
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.1436 0.244
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0234 0.033
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0093 0.0082
Loa Loa (eye worm) hypothetical protein 0.0247 0.117 0.1129
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0264 0.1257 1
Leishmania major carnitine palmitoyltransferase-like protein 0.0393 0.1914 0.3279
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.1145 0.5741 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.0635 0.1033
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0256 0.1219 0.9671
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1145 0.5741 1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0247 0.117 0.1973
Brugia malayi hypothetical protein 0.0026 0.0047 0.0047
Mycobacterium ulcerans beta-lactamase 0.0041 0.0125 0.0512
Echinococcus granulosus muscleblind protein 0.0307 0.1478 0.246
Mycobacterium tuberculosis Conserved protein 0.0041 0.0125 0.0274
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0093 0.0082
Brugia malayi beta-lactamase 0.0041 0.0125 0.0125
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0214 0.0413
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Schistosoma mansoni bromodomain containing protein 0.0125 0.0554 0.1383
Brugia malayi RNA, U transporter 1 0.0164 0.0748 0.0748
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0125 0.0274
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0125 0.0274
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.012 0.0073
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0125 0.0274
Plasmodium falciparum glutathione reductase 0.0035 0.0093 0.1222
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0042 0.0131 0.0077
Plasmodium falciparum thioredoxin reductase 0.0035 0.0093 0.1222
Schistosoma mansoni ap endonuclease 0.004 0.012 0.0143
Leishmania major proteasome beta 5 subunit, putative 0.008 0.0321 0.0482
Loa Loa (eye worm) hypothetical protein 0.0094 0.0392 0.0347
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0214 0.0294
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0093 0.0082
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0125 0.0421
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0176 0.0227
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0125 0.1399
Brugia malayi PHD-finger family protein 0.0049 0.0167 0.0167
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0125 0.2055
Plasmodium falciparum proteasome subunit beta type-5 0.008 0.0321 0.7175
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0247 0.117 0.1973
Onchocerca volvulus 0.0247 0.117 1
Onchocerca volvulus 0.0247 0.117 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.1145 0.5741 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0079
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.012 0.0057
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0035 0.0093 0.025
Giardia lamblia Proteasome subunit beta type 5 precursor 0.008 0.0321 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0125 0.0512
Brugia malayi Choline O-acetyltransferase 0.0247 0.117 0.117
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.012 0.191
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0129 0.0442
Schistosoma mansoni choline o-acyltransferase 0.0247 0.117 0.3142
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0393 0.1914 0.1914
Brugia malayi Bromodomain containing protein 0.0076 0.0302 0.0302
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0247 0.117 0.6018
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0035 0.0093 0.1222
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0256 0.1219 0.9671
Onchocerca volvulus 0.0247 0.117 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Leishmania major GTP-binding protein, putative 0.0042 0.0131 0.0148
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0393 0.1914 0.3279
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0214 0.438
Trypanosoma cruzi hypothetical protein, conserved 0.0247 0.117 0.1973
Mycobacterium tuberculosis Conserved protein 0.0041 0.0125 0.0274
Schistosoma mansoni importin beta-1 0.0058 0.0208 0.0395
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0086 0.0086
Plasmodium falciparum thioredoxin reductase 0.0101 0.0429 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0042 0.0131 0.0077
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0035 0.0093 0.0068
Echinococcus multilocularis muscleblind protein 1 0.0307 0.1478 0.246
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0212 0.0406
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.012 0.0128
Echinococcus granulosus thioredoxin glutathione reductase 0.0101 0.0429 0.0605
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0125 0.0274
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.1436 0.244
Schistosoma mansoni ran 0.0042 0.0131 0.0174
Schistosoma mansoni hypothetical protein 0.0041 0.0123 0.0154
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0399 0.0941
Trypanosoma cruzi hypothetical protein, conserved 0.0247 0.117 0.1973
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0214 0.1038
Loa Loa (eye worm) hypothetical protein 0.0307 0.1478 0.1438
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0153 0.2602
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0093 0.0082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0399 0.0941
Echinococcus granulosus choline O acetyltransferase 0.0247 0.117 0.1915
Loa Loa (eye worm) hypothetical protein 0.0033 0.0086 0.0039
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.023 0.1088 0.8546
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0125 0.0125
Brugia malayi Importin beta-1 subunit 0.0058 0.0208 0.0208
Mycobacterium ulcerans proteasome PrcB 0.008 0.0321 0.3657
Leishmania major trypanothione reductase 0.0101 0.0429 0.0672
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0125 0.0512
Schistosoma mansoni serine/threonine protein kinase 0.0202 0.0944 0.2495
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0042 0.0131 0.164
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0035 0.0093 0.1222
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0093 0.025
Loa Loa (eye worm) hypothetical protein 0.0058 0.0208 0.0162
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0125 0.0138
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0214 0.194
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0207 0.0281
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.023 0.1088 0.8546
Loa Loa (eye worm) hypothetical protein 0.0076 0.0302 0.0257
Loa Loa (eye worm) hypothetical protein 0.0149 0.0676 0.0632
Entamoeba histolytica Ran family GTPase 0.0042 0.0131 0.0548
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0131 0.0148
Leishmania major cathepsin L-like protease 0.0063 0.0234 0.033
Trypanosoma cruzi importin beta-1 subunit, putative 0.0047 0.0153 0.0186
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0247 0.117 0.117
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0166 0.021
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0125 0.1399
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0101 0.0429 0.2887
Schistosoma mansoni hypothetical protein 0.0033 0.0086 0.0046
Toxoplasma gondii thioredoxin reductase 0.0101 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0079
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Loa Loa (eye worm) hypothetical protein 0.0034 0.0087 0.0041
Echinococcus granulosus importin subunit beta 1 0.0058 0.0208 0.0213
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0035 0.0093 0.0093
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.008 0.0321 0.0482
Echinococcus multilocularis snurportin 1 0.0614 0.3041 0.5224
Plasmodium vivax importin-beta 2, putative 0.0058 0.0208 0.4218
Leishmania major carnitine/choline acetyltransferase, putative 0.0247 0.117 0.1973
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0214 0.0224
Schistosoma mansoni ap endonuclease 0.004 0.012 0.0143
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0087 0.0051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0399 0.0552
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0256 0.1219 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0399 0.0552
Toxoplasma gondii proteasome subunit beta type, putative 0.008 0.0321 0.7175
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0214 0.194
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.012 0.012
Toxoplasma gondii HEAT repeat-containing protein 0.0058 0.0208 0.4218
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.0399 0.0354
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0234 0.033
Mycobacterium ulcerans hypothetical protein 0.0041 0.0125 0.0512
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0125 0.0138
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0614 0.3041 0.3008
Mycobacterium leprae proteasome (beta subunit) PrcB 0.008 0.0321 0.1792
Brugia malayi beta-lactamase family protein 0.0041 0.0125 0.0125
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.012 0.191
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0093 0.025
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0247 0.117 0.1973
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0212 0.1018
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0153 0.2602
Trypanosoma brucei importin beta-1 subunit, putative 0.0058 0.0208 0.0864
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0212 0.1902
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.0399 0.0399
Echinococcus multilocularis zinc finger protein 0.0039 0.0113 0.0045
Echinococcus granulosus snurportin 1 0.0614 0.3041 0.5224
Loa Loa (eye worm) hypothetical protein 0.0049 0.0165 0.0119
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0212 0.022
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0035 0.0093 0.0082
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0093 0.0082
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0125 0.1399
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0247 0.117 0.6018
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.1436 0.744
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0399 0.0552
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0035 0.0093 0.0082
Plasmodium vivax thioredoxin reductase, putative 0.0101 0.0429 1
Brugia malayi Muscleblind-like protein 0.0307 0.1478 0.1478
Echinococcus granulosus geminin 0.0556 0.2747 0.4704
Schistosoma mansoni zinc finger protein 0.0039 0.0113 0.0123
Brugia malayi Thioredoxin reductase 0.0101 0.0429 0.0429
Schistosoma mansoni eyes absent homolog 0.0094 0.0392 0.0919
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.012 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.012 0.0128
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.012 0.0226
Trichomonas vaginalis ran, putative 0.0042 0.0131 0.164
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0214 0.0413
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.0143 0.0098
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0035 0.0093 0.1222
Trichomonas vaginalis ap endonuclease, putative 0.004 0.012 0.1156
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Loa Loa (eye worm) hypothetical protein 0.0094 0.0392 0.0347
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.0635 0.3151
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0214 0.0224
Trypanosoma brucei hypothetical protein, conserved 0.0247 0.117 0.6018
Toxoplasma gondii ABC1 family protein 0.0041 0.0125 0.2055
Leishmania major hypothetical protein, conserved 0.003 0.007 0.004
Loa Loa (eye worm) hypothetical protein 0.014 0.0629 0.0585
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0247 0.117 0.6018
Loa Loa (eye worm) thioredoxin reductase 0.0101 0.0429 0.0384
Plasmodium falciparum importin beta, putative 0.0058 0.0208 0.4218
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0079
Schistosoma mansoni hypothetical protein 0.0614 0.3041 0.8482
Entamoeba histolytica hypothetical protein 0.0047 0.0153 0.1636
Trypanosoma brucei proteasome subunit beta type-5, putative 0.008 0.0321 0.147
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0393 0.1914 0.3231
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0087 0.0051
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0393 0.1914 0.1876
Trichomonas vaginalis esterase, putative 0.0041 0.0125 0.1399
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.008 0.0321 0.1958
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0035 0.0093 0.1222
Schistosoma mansoni choline o-acyltransferase 0.0247 0.117 0.3142
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0165 0.0165
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0042 0.0131 0.2198
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0307 0.1478 0.1438
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0087 0.0051
Trypanosoma brucei importin beta-1 subunit, putative 0.0058 0.0208 0.0864
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Leishmania major cathepsin L-like protease 0.0063 0.0234 0.033
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0247 0.117 0.1973
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0131 0.0148
Trypanosoma cruzi ISWI complex protein 0.003 0.007 0.004
Brugia malayi glutathione reductase 0.0101 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0079
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0093 0.0082
Loa Loa (eye worm) choline O-acetyltransferase 0.0247 0.117 0.1129
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0042 0.0131 0.0451
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.008 0.0321 0.0276
Echinococcus granulosus proteasome prosome macropain 0.008 0.0321 0.0414
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.012 0.1156
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.012 0.0057
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0212 0.029
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Loa Loa (eye worm) hypothetical protein 0.1981 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0234 0.1006
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0125 0.0274
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0093 0.0082
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0393 0.1914 0.3231
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0125 0.0274
Schistosoma mansoni ran 0.0042 0.0131 0.0174
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.012 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0042 0.0131 0.2198
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0247 0.117 0.1129
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0393 0.1914 1
Brugia malayi Choline O-acetyltransferase 0.0247 0.117 0.117
Trypanosoma cruzi hypothetical protein, conserved 0.0247 0.117 0.1973
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.012 0.0128
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0035 0.0093 0.0011
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0165 0.0119
Mycobacterium tuberculosis Probable dehydrogenase 0.023 0.1088 0.8546
Echinococcus granulosus zinc finger protein 0.0039 0.0113 0.0045
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0042 0.0131 0.0131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0399 0.0941
Brugia malayi Bromodomain containing protein 0.0149 0.0672 0.0672
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0399 0.0552
Loa Loa (eye worm) hypothetical protein 0.0085 0.0346 0.0301
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.012 0.0423
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0234 0.033
Loa Loa (eye worm) hypothetical protein 0.0081 0.0326 0.0281
Loa Loa (eye worm) hypothetical protein 0.0041 0.0125 0.0079
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.023 0.1088 0.8803
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0202 0.0944 0.0901
Brugia malayi beta-lactamase family protein 0.0041 0.0125 0.0125
Echinococcus multilocularis proteasome (prosome, macropain) 0.008 0.0321 0.0414
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0042 0.0131 0.2198
Toxoplasma gondii hypothetical protein 0.0048 0.016 0.2976

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 nM Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting ChEMBL. 21074424

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.

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